{"id":"https://openalex.org/W2014637880","doi":"https://doi.org/10.1158/1535-7163.targ-13-b100","title":"Abstract B100: Structure-based design of AZ7732 a novel in vivo active beta-alanine-derived pan-IAP inhibitor.","display_name":"Abstract B100: Structure-based design of AZ7732 a novel in vivo active beta-alanine-derived pan-IAP inhibitor.","publication_year":2013,"publication_date":"2013-11-01","ids":{"openalex":"https://openalex.org/W2014637880","doi":"https://doi.org/10.1158/1535-7163.targ-13-b100","mag":"2014637880"},"language":"en","primary_location":{"id":"doi:10.1158/1535-7163.targ-13-b100","doi":"https://doi.org/10.1158/1535-7163.targ-13-b100","is_oa":false,"landing_page_url":"https://doi.org/10.1158/1535-7163.targ-13-b100","pdf_url":null,"source":{"id":"https://openalex.org/S48437117","display_name":"Molecular Cancer Therapeutics","issn_l":"1535-7163","issn":["1535-7163","1538-8514"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","doyens","jufo-1","ki-jl-1","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320273","host_organization_name":"American Association for Cancer Research","host_organization_lineage":["https://openalex.org/P4310320273"],"host_organization_lineage_names":["American Association for Cancer Research"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Cancer Therapeutics","raw_type":"journal-article"},"volume":null,"type":"conference-abstract","is_traditional":false,"indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5001466285","display_name":"Jamal Carlos Saeh","orcid":"https://orcid.org/0000-0001-6396-6257","observed_orcids":["https://orcid.org/0000-0001-6396-6257"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Jamal C. Saeh","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049852492","display_name":"Brian M. Aquila","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Brian Aquila","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064904833","display_name":"Daniel John Russell","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Daniel Russell","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068941202","display_name":"Edward J. Hennessy","orcid":"https://orcid.org/0000-0002-3431-4396","observed_orcids":["https://orcid.org/0000-0002-3431-4396"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Edward Hennessy","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081195179","display_name":"Alex Hird","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Alex Hird","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054565788","display_name":"Melissa M. Vasbinder","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Melissa Vasbinder","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065356202","display_name":"Andrew D. Ferguson","orcid":"https://orcid.org/0000-0002-1018-9631","observed_orcids":["https://orcid.org/0000-0002-1018-9631"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Andrew Ferguson","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051215012","display_name":"Bin Yang","orcid":"https://orcid.org/0000-0002-0275-3722","observed_orcids":["https://orcid.org/0000-0002-0275-3722"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Bin Yang","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076814949","display_name":"Maureen Mertens Hattersley","orcid":"https://orcid.org/0000-0003-3231-8710","observed_orcids":["https://orcid.org/0000-0003-3231-8710"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Maureen Hattersley","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5018575107","display_name":"Naomi M. Laing","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Naomi Laing","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5021755913","display_name":"Terry Macintyre","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Terry MacIntyre","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028512226","display_name":"Troy D. Patterson","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Troy Patterson","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037497696","display_name":"Galina Repik","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Galina Repik","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111751540","display_name":"Michael Rooney","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Michael Rooney","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100601474","display_name":"Haiyun Wang","orcid":"https://orcid.org/0000-0001-9071-4346","observed_orcids":["https://orcid.org/0000-0001-9071-4346"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Haiyun Wang","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011713487","display_name":"Dave Witson","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Dave Witson","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100402688","display_name":"Sha Li","orcid":"https://orcid.org/0000-0001-8256-1263","observed_orcids":["https://orcid.org/0000-0001-8256-1263"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Li Sha","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034508167","display_name":"Donald J. Cook","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Donald Cook","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5087967726","display_name":"Paula M. Lewis","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Paula Lewis","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":null,"display_name":"John Lee","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"John Lee","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100453909","display_name":"Danyang Li","orcid":"https://orcid.org/0000-0002-7508-6019","observed_orcids":["https://orcid.org/0000-0002-7508-6019","https://orcid.org/0009-0001-6606-5566"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Danyang Li","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066063012","display_name":"Victor M. Kamhi","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Victor Kamhi","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003196865","display_name":"Vibha B. Oza","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Vibha Oza","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5109898147","display_name":"Charles A. Omer","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Charles Omer","raw_affiliation_strings":["AstraZeneca R&D Boston, Waltham, MA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D Boston, Waltham, MA","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":"12","issue":"11_Supplement","first_page":"B100","last_page":"B100"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10294","display_name":"Cell death mechanisms and regulation","score":0.9394999742507935,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10294","display_name":"Cell death mechanisms and regulation","score":0.9394999742507935,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10911","display_name":"Chemical Synthesis and Analysis","score":0.02889999933540821,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10274","display_name":"Heterocyclic Compound Synthesis and Bioactivity","score":0.006399999838322401,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/smac-mimetics","display_name":"IAP antagonists","score":0.9039999842643738},{"id":"https://openalex.org/keywords/inhibitor-of-apoptosis-proteins","display_name":"inhibitor of apoptosis proteins","score":0.8259999752044678},{"id":"https://openalex.org/keywords/ciap1","display_name":"cIAP1","score":0.6309999823570251},{"id":"https://openalex.org/keywords/xiap","display_name":"XIAP","score":0.8930000066757202},{"id":"https://openalex.org/keywords/bir3-domain","display_name":"BIR3 domain","score":0.8659999966621399},{"id":"https://openalex.org/keywords/structure-based-drug-design","display_name":"structure-based drug design","score":0.8349999785423279},{"id":"https://openalex.org/keywords/co-crystal-structure","display_name":"co-crystal structure","score":0.6819999814033508},{"id":"https://openalex.org/keywords/structure-activity-relationship","display_name":"structure-activity relationship","score":0.7549999952316284},{"id":"https://openalex.org/keywords/cyp3a4-inhibition","display_name":"CYP3A4 inhibition","score":0.8859999775886536},{"id":"https://openalex.org/keywords/apoptosis","display_name":"apoptosis","score":0.4180000126361847},{"id":"https://openalex.org/keywords/anticancer-agents","display_name":"anticancer agents","score":0.5360000133514404},{"id":"https://openalex.org/keywords/gemcitabine-combination","display_name":"gemcitabine combination","score":0.6359999775886536},{"id":"https://openalex.org/keywords/in-vivo-antitumor-activity","display_name":"in vivo antitumor activity","score":0.42500001192092896}],"concepts":[{"id":"https://openalex.org/C33195913","wikidata":"https://www.wikidata.org/wiki/Q20970121","display_name":"XIAP","level":5,"score":0.8031585812568665},{"id":"https://openalex.org/C2779856020","wikidata":"https://www.wikidata.org/wiki/Q218642","display_name":"Alanine","level":3,"score":0.7003452777862549},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5319937467575073},{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.5116863250732422},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.4394480288028717},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.4279515743255615},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.4189378619194031},{"id":"https://openalex.org/C515207424","wikidata":"https://www.wikidata.org/wiki/Q8066","display_name":"Amino acid","level":2,"score":0.38108888268470764},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.37710532546043396},{"id":"https://openalex.org/C98424977","wikidata":"https://www.wikidata.org/wiki/Q25805","display_name":"Caspase","level":4,"score":0.2085876166820526},{"id":"https://openalex.org/C190283241","wikidata":"https://www.wikidata.org/wiki/Q14599311","display_name":"Apoptosis","level":2,"score":0.16527026891708374},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.15664824843406677},{"id":"https://openalex.org/C31573885","wikidata":"https://www.wikidata.org/wiki/Q304484","display_name":"Programmed cell death","level":3,"score":0.13869750499725342}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1158/1535-7163.targ-13-b100","doi":"https://doi.org/10.1158/1535-7163.targ-13-b100","is_oa":false,"landing_page_url":"https://doi.org/10.1158/1535-7163.targ-13-b100","pdf_url":null,"source":{"id":"https://openalex.org/S48437117","display_name":"Molecular Cancer Therapeutics","issn_l":"1535-7163","issn":["1535-7163","1538-8514"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","doyens","jufo-1","ki-jl-1","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320273","host_organization_name":"American Association for Cancer Research","host_organization_lineage":["https://openalex.org/P4310320273"],"host_organization_lineage_names":["American Association for Cancer Research"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Cancer Therapeutics","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.8048999905586243,"display_name":"Good health and well-being"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2052064497","https://openalex.org/W1966409661","https://openalex.org/W2000436482","https://openalex.org/W1989277510","https://openalex.org/W2470111733","https://openalex.org/W2093213682","https://openalex.org/W7167032648","https://openalex.org/W1982598000","https://openalex.org/W2023262706","https://openalex.org/W2134452061"],"abstract_inverted_index":{"Abstract":[0],"Both":[1],"monomeric":[2,165,386],"and":[3,97,113,138,226,232,250,266,299,324,378,387,507],"dimeric":[4,280,388,401],"SMAC":[5,43,74,389],"(Second":[6],"Mitochondria-derived":[7],"Activator":[8],"of":[9,16,42,56,63,72,78,107,134,157,164,188,202,217,228,235,256,276,285,395,487,500],"Caspaces)":[10],"mimetics":[11,390],"acting":[12],"as":[13,26,28,309,351],"IAP":[14,50,82,191],"(Inhibitor":[15],"apoptosis":[17],"proteins)":[18],"anatgonists":[19],"have":[20,382],"been":[21,111],"reported":[22],"in":[23,30,39,69,119,178,207,307,327,329,336,349,358,398,491],"the":[24,31,40,57,66,70,73,90,101,122,129,142,154,184,203,208,215,218,223,233,243,254,264,274,393,501],"clinic":[25],"well":[27],"extensively":[29],"literature":[32],"(1).":[33],"The":[34,167],"first":[35,185],"four":[36],"amino":[37],"acids":[38],"N-terminal":[41],"(AVPI)":[44],"are":[45],"critical":[46,87],"for":[47,89,343],"binding":[48,204],"to":[49,65,81,116,161,248,253,262,273,361,392],"proteins.":[51],"Reported":[52],"medicinal":[53,379],"chemistry":[54,380],"exploration":[55,106],"AVPI":[58],"template":[59],"has":[60,84,110,334],"primarily":[61],"consisted":[62],"variation":[64],"VPI":[67],"position":[68,255],"amino-terminal":[71],"peptide.":[75],"Structural":[76],"illucidation":[77],"XIAP":[79,293,300],"bound":[80],"inhibitors":[83],"revealed":[85],"a":[86,158,162,176,197,278,282,310,352,396,489],"role":[88],"alanine":[91,108],"with":[92,100,136,175,196,331,339,366],"dense":[93],"hydrogen":[94],"bonding,":[95],"electrostatic":[96],"hydrophibic":[98],"complementarity":[99],"protein.":[102],"To":[103],"our":[104,260],"knowledge,":[105],"modifications":[109],"limited":[112],"generally":[114],"led":[115,272,360],"significant":[117],"reduction":[118,177],"potency.":[120,180],"Using":[121],"molecular":[123],"modeling":[124],"software":[125],"SuperStar(2),":[126],"we":[127,151,221],"investigated":[128],"publically":[130],"available":[131],"co-crystal":[132,186,209],"structures":[133],"Smac-mimetics":[135],"cIAP1":[137],"hypothesized":[139],"that":[140,242],"homologating":[141],"basic":[143],"amine":[144],"might":[145],"be":[146,246],"tolerated.":[147],"Applying":[148],"this":[149,229],"strategy,":[150],"report":[152,182,259],"on":[153],"successful":[155],"transfer":[156],"beta-alanine":[159,198,236],"warhead":[160,231],"number":[163],"scaffolds.":[166],"resulting":[168],"novel":[169,230,279,385,397,490],"monomers":[170],"maintained":[171],"cIAP1/2":[172],"potency":[173],"albeit":[174],"xIAP":[179,189],"We":[181,240,258],"here":[183],"structure":[187,210],"baculoviral":[190],"repeat":[192],"3":[193],"domain":[194],"(BIR3)":[195],"derived":[199,237],"monomer.":[200],"Examination":[201],"site":[205],"contacts":[206],"provided":[211],"further":[212],"insight":[213],"into":[214],"optimization":[216],"warhead.":[219],"Herein":[220],"describe":[222],"synthesis,":[224],"SAR":[225,244],"SPR":[227],"discovery":[234,275,394],"pan-IAP":[238,402,495],"inhibitors.":[239],"show":[241],"can":[245],"transferred":[247],"dimers":[249],"is":[251,325,347],"invariant":[252],"dimerization.":[257],"efforts":[261,381],"optimize":[263],"series":[265],"mitigate":[267],"Cyp3A4":[268],"inhibition.":[269],"This":[270],"work":[271],"AZ7732,":[277],"SMAC-mimetic;":[281],"pan":[283],"inhibitor":[284],"IAPs":[286],"(cIAP":[287],"BIR3":[288,294],"IC50":[289,295,302,316],"=":[290,296,303,317,321],"12":[291],"nM,":[292,298,319],"13":[297],"BIR2":[301],"30":[304],"nM);":[305],"potent":[306],"cells":[308],"single":[311,353],"agent":[312],"(MDA-MB231":[313],"cIAP":[314],"degradation":[315],"0.2":[318],"GI50":[320],"0.4":[322],"nM)":[323],"synergistic":[326],"vitro":[328],"combination":[330],"gemcitabine.":[332],"AZ7732":[333,346,488],"favorable":[335],"vivo":[337,350,399,492],"PK":[338],"physical":[340],"properties":[341],"suitable":[342],"IV":[344],"dosing.":[345],"active":[348,400,493],"agent.":[354],"Once":[355],"weekly":[356],"dosing":[357],"MDA-MB231":[359],"dose-dependent":[362],"tumor":[363],"growth":[364],"inhibition":[365],"stasis":[367],"achieved":[368],"at":[369],"2.5":[370],"mpk,":[371],"\u00bc":[372],"MTD.":[373],"In":[374],"conclusion,":[375],"Structure-based":[376,485],"design":[377,486],"successfully":[383],"identified":[384],"leading":[391],"inhibitor.":[403,496],"(1)":[404],"Fulda":[405],"et":[406,419],"al,":[407,420],"Nat.":[408],"Rev.":[409],"Drug":[410],"Disc.,":[411],"11,":[412],"109-123,":[413],"2012.":[414],"(2)":[415],"M.":[416],"L.":[417],"Verdonk,":[418],"J.":[421],"Mol.":[422],"Biol.,":[423],"289,":[424],"1093-1108,":[425],"1999":[426],"Citation":[427,434],"Information:":[428],"Mol":[429,518],"Cancer":[430,508,519],"Ther":[431,520],"2013;12(11":[432,521],"Suppl):B100.":[433],"Format:":[435],"Jamal":[436],"C.":[437],"Saeh,":[438],"Brian":[439],"Aquila,":[440],"Daniel":[441],"Russell,":[442],"Edward":[443],"Hennessy,":[444],"Alex":[445],"Hird,":[446],"Melissa":[447],"Vasbinder,":[448],"Andrew":[449],"Ferguson,":[450],"Bin":[451],"Yang,":[452],"Maureen":[453],"Hattersley,":[454],"Naomi":[455],"Laing,":[456],"Terry":[457],"MacIntyre,":[458],"Troy":[459],"Patterson,":[460],"Galina":[461],"Repik,":[462],"Michael":[463],"Rooney,":[464],"Haiyun":[465],"Wang,":[466],"Dave":[467],"Witson,":[468],"Li":[469],"Sha,":[470],"Donald":[471],"Cook,":[472],"Paula":[473],"Lewis,":[474],"John":[475],"Lee,":[476],"Danyang":[477],"Li,":[478],"Victor":[479],"Kamhi,":[480],"Vibha":[481],"Oza,":[482],"Charles":[483],"Omer.":[484],"beta-alanine-derived":[494],"[abstract].":[497],"In:":[498],"Proceedings":[499],"AACR-NCI-EORTC":[502],"International":[503],"Conference:":[504],"Molecular":[505],"Targets":[506],"Therapeutics;":[509],"2013":[510],"Oct":[511],"19-23;":[512],"Boston,":[513],"MA.":[514],"Philadelphia":[515],"(PA):":[516],"AACR;":[517],"Suppl):Abstract":[522],"nr":[523],"B100.":[524]},"counts_by_year":[],"updated_date":"2026-11-13T13:42:25.865203","created_date":"2016-06-24T00:00:00"}