BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 434758 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCCc2ccccc12 InChI=1S/C66H81N9O8/c1-40(67-6)59(76)72-55(64(81)74-37-48-19-9-8-18-47(48)35-56(74)62(79)70-53-24-14-20-44-16-10-12-22-51(44)53)34-42-28-32-50(33-29-42)83-39-43-26-30-46(31-27-43)61(78)69-49-36-57(63(80)71-54-25-15-21-45-17-11-13-23-52(45)54)75(38-49)65(82)58(66(3,4)5)73-60(77)41(2)68-7/h8-13,16-19,22-23,26-33,40-41,49,53-58,67-68H,14-15,20-21,24-25,34-39H2,1-7H3,(H,69,78)(H,70,79)(H,71,80)(H,72,76)(H,73,77)/t40-,41-,49-,53?,54?,55-,56-,57-,58+/m0/s1 ZHTVSVKDYKAOKU-UEXYXWOPSA-N 249160 US9453048, 1 E3 ubiquitin-protein ligase XIAP [124-240] 1.11 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249160&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635721 346543668 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434759 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CCCC1C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-50(59(76)69-32-14-23-51(69)57(74)65-48-21-12-17-41-15-8-10-19-46(41)48)33-39-26-30-45(31-27-39)78-36-40-24-28-43(29-25-40)56(73)64-44-34-52(58(75)66-49-22-13-18-42-16-9-11-20-47(42)49)70(35-44)60(77)53(61(3,4)5)68-55(72)38(2)63-7/h8-11,15-16,19-20,24-31,37-38,44,48-53,62-63H,12-14,17-18,21-23,32-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44?,48+,49?,50-,51?,52-,53+/m0/s1 GOHJXSANROHRRJ-PPXCOOFNSA-N 249161 US9453048, 2 E3 ubiquitin-protein ligase XIAP [124-240] 0.49 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249161&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635722 346543669 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434760 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CCCCC1C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C62H81N9O8/c1-38(63-6)55(72)68-51(60(77)70-33-13-12-24-52(70)58(75)66-49-22-14-18-42-16-8-10-20-47(42)49)34-40-27-31-46(32-28-40)79-37-41-25-29-44(30-26-41)57(74)65-45-35-53(59(76)67-50-23-15-19-43-17-9-11-21-48(43)50)71(36-45)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h8-11,16-17,20-21,25-32,38-39,45,49-54,63-64H,12-15,18-19,22-24,33-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45?,49+,50?,51-,52?,53-,54+/m0/s1 NVGMOAJZXINBNS-RKDFGVOUSA-N 249162 US9453048, 3 E3 ubiquitin-protein ligase XIAP [124-240] 0.46 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249162&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635723 346543670 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434761 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CC=CCC1C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C62H79N9O8/c1-38(63-6)55(72)68-51(60(77)70-33-13-12-24-52(70)58(75)66-49-22-14-18-42-16-8-10-20-47(42)49)34-40-27-31-46(32-28-40)79-37-41-25-29-44(30-26-41)57(74)65-45-35-53(59(76)67-50-23-15-19-43-17-9-11-21-48(43)50)71(36-45)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h8-13,16-17,20-21,25-32,38-39,45,49-54,63-64H,14-15,18-19,22-24,33-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45?,49+,50?,51-,52?,53-,54+/m0/s1 OCXMUZCIKTZSBR-RKDFGVOUSA-N 249163 US9453048, 4 E3 ubiquitin-protein ligase XIAP [124-240] 0.22 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249163&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635724 346543671 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434762 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(C(=O)NC3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)c(F)c2)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C66H80FN9O8/c1-39(68-6)59(77)73-55(64(82)75-36-46-19-9-8-18-45(46)34-56(75)62(80)71-53-24-14-20-43-16-10-12-22-49(43)53)33-41-26-29-48(30-27-41)84-38-42-28-31-51(52(67)32-42)61(79)70-47-35-57(63(81)72-54-25-15-21-44-17-11-13-23-50(44)54)76(37-47)65(83)58(66(3,4)5)74-60(78)40(2)69-7/h8-13,16-19,22-23,26-32,39-40,47,53-58,68-69H,14-15,20-21,24-25,33-38H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t39-,40-,47?,53+,54?,55-,56?,57-,58+/m0/s1 YABVBGJSJAOFOT-IBVOZTSHSA-N 249164 US9453048, 5 E3 ubiquitin-protein ligase XIAP [124-240] 1.84 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249164&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635725 346543672 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434763 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(Oc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C65H79N9O8/c1-39(66-6)58(75)71-54(63(80)73-37-46-19-9-8-18-45(46)35-55(73)61(78)69-52-24-14-20-42-16-10-12-22-50(42)52)34-41-26-30-48(31-27-41)82-49-32-28-44(29-33-49)60(77)68-47-36-56(62(79)70-53-25-15-21-43-17-11-13-23-51(43)53)74(38-47)64(81)57(65(3,4)5)72-59(76)40(2)67-7/h8-13,16-19,22-23,26-33,39-40,47,52-57,66-67H,14-15,20-21,24-25,34-38H2,1-7H3,(H,68,77)(H,69,78)(H,70,79)(H,71,75)(H,72,76)/t39-,40-,47?,52+,53?,54-,55?,56-,57+/m0/s1 ICBNAJNGBQSYKR-JOGHRLMDSA-N 249165 US9453048, 6 E3 ubiquitin-protein ligase XIAP [124-240] 1.19 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249165&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635726 346543673 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434764 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(NCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C66H82N10O7/c1-40(67-6)59(77)73-55(64(82)75-38-48-19-9-8-18-47(48)35-56(75)62(80)71-53-24-14-20-44-16-10-12-22-51(44)53)34-42-28-32-49(33-29-42)69-37-43-26-30-46(31-27-43)61(79)70-50-36-57(63(81)72-54-25-15-21-45-17-11-13-23-52(45)54)76(39-50)65(83)58(66(3,4)5)74-60(78)41(2)68-7/h8-13,16-19,22-23,26-33,40-41,50,53-58,67-69H,14-15,20-21,24-25,34-39H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t40-,41-,50?,53+,54?,55-,56?,57-,58+/m0/s1 ZQGQESOASZCZRS-BRUXDLPLSA-N 249166 US9453048, 7 E3 ubiquitin-protein ligase XIAP [124-240] 1.10 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249166&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635727 346543674 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434765 CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)C1CC=CC[C@H]1C(=O)NC1CCCc2ccccc12 InChI=1S/C63H80N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-13,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,14-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50+,51?,52?,53?,54-,56+/m0/s1 MJRNRPHNOVZJQB-KXXBVNELSA-N 249167 US9453048, 9 E3 ubiquitin-protein ligase XIAP [124-240] 0.72 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249167&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635728 346543675 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434766 CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CC=CC[C@@H]1C(=O)NC1CCCc2ccccc12 InChI=1S/C63H80N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-13,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,14-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/m0/s1 MJRNRPHNOVZJQB-YSMPXDCXSA-N 249168 US9453048, 10 E3 ubiquitin-protein ligase XIAP [124-240] 0.48 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249168&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635729 346543676 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434767 CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CCCC[C@@H]1C(=O)NC1CCCc2ccccc12 InChI=1S/C63H82N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-11,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,12-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/m0/s1 ZGWHKKCFHWPWTG-YSMPXDCXSA-N 249169 US9453048, 11::US9453048, 12 E3 ubiquitin-protein ligase XIAP [124-240] 1.70 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249169&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635730 346543677 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434768 CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CCCC[C@@H]1C(=O)NC1CCCc2ccccc12 InChI=1S/C63H82N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-11,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,12-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/m0/s1 ZGWHKKCFHWPWTG-YSMPXDCXSA-N 249169 US9453048, 11::US9453048, 12 E3 ubiquitin-protein ligase XIAP [124-240] 0.62 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249169&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635730 346543677 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434769 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48+,49?,50?,51+,52?,53+/m0/s1 PCTAIOPAYXJDHB-LJIOIBTLSA-N 249171 US9453048, 13::US9453048, 15 E3 ubiquitin-protein ligase XIAP [124-240] 2.43 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249171&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635731 346543678 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434770 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48-,49?,50?,51+,52?,53+/m0/s1 PCTAIOPAYXJDHB-CVLHRNLYSA-N 249172 US9453048, 14 E3 ubiquitin-protein ligase XIAP [124-240] 1.14 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249172&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635732 346543679 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434771 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48+,49?,50?,51+,52?,53+/m0/s1 PCTAIOPAYXJDHB-LJIOIBTLSA-N 249171 US9453048, 13::US9453048, 15 E3 ubiquitin-protein ligase XIAP [124-240] 2.00 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249171&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635731 346543678 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434772 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)[C@H]3CCCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C InChI=1S/C62H81N9O8/c1-38(63-6)55(72)68-54(62(3,4)5)61(78)70-36-45(34-53(70)59(76)67-52-25-15-19-43-17-9-11-21-48(43)52)65-57(74)44-30-26-41(27-31-44)37-79-46-32-28-40(29-33-46)35-71(69-56(73)39(2)64-7)60(77)50-23-13-12-22-49(50)58(75)66-51-24-14-18-42-16-8-10-20-47(42)51/h8-11,16-17,20-21,26-33,38-39,45,49-54,63-64H,12-15,18-19,22-25,34-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45-,49+,50-,51?,52+,53?,54+/m0/s1 ZNXRDQOMLFCSOT-FLNWYVDMSA-N 249174 US9453048, 16 E3 ubiquitin-protein ligase XIAP [124-240] 2.11 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249174&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635733 346543680 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434773 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C InChI=1S/C62H81N9O8/c1-38(63-6)55(72)68-54(62(3,4)5)61(78)70-36-45(34-53(70)59(76)67-52-25-15-19-43-17-9-11-21-48(43)52)65-57(74)44-30-26-41(27-31-44)37-79-46-32-28-40(29-33-46)35-71(69-56(73)39(2)64-7)60(77)50-23-13-12-22-49(50)58(75)66-51-24-14-18-42-16-8-10-20-47(42)51/h8-11,16-17,20-21,26-33,38-39,45,49-54,63-64H,12-15,18-19,22-25,34-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45-,49+,50+,51?,52+,53?,54+/m0/s1 ZNXRDQOMLFCSOT-PQRBCLMOSA-N 249175 US9453048, 17 E3 ubiquitin-protein ligase XIAP [124-240] 2.44 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249175&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635734 346543681 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434774 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)C1CCCc2ccccc12 InChI=1S/C68H85N9O7/c1-42(69-6)61(78)73-56(65(82)76-40-51-20-10-9-19-50(51)38-59(76)66(83)75(8)57-26-16-22-48-18-12-14-24-54(48)57)37-46-31-29-44(30-32-46)27-28-45-33-35-49(36-34-45)63(80)71-52-39-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)77(41-52)67(84)60(68(3,4)5)74-62(79)43(2)70-7/h9-14,17-20,23-24,29-36,42-43,52,55-60,69-70H,15-16,21-22,25-28,37-41H2,1-8H3,(H,71,80)(H,72,81)(H,73,78)(H,74,79)/t42-,43-,52?,55?,56-,57?,58-,59-,60+/m0/s1 XAZVUSKLJAYKSQ-BTBHBTNASA-N 249176 US9453048, 18 E3 ubiquitin-protein ligase XIAP [124-240] 2.68 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249176&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635735 346543682 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434775 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCCc2ccccc12 InChI=1S/C67H83N9O7/c1-41(68-6)60(77)73-56(65(82)75-39-50-19-9-8-18-49(50)37-57(75)63(80)71-54-24-14-20-46-16-10-12-22-52(46)54)36-45-30-28-43(29-31-45)26-27-44-32-34-48(35-33-44)62(79)70-51-38-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)76(40-51)66(83)59(67(3,4)5)74-61(78)42(2)69-7/h8-13,16-19,22-23,28-35,41-42,51,54-59,68-69H,14-15,20-21,24-27,36-40H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t41-,42-,51?,54?,55?,56-,57-,58-,59+/m0/s1 YQQYAIDWSCFDCF-XYYSOBHESA-N 249177 US9453048, 19 E3 ubiquitin-protein ligase XIAP [124-240] 2.21 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249177&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635736 346543683 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434776 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(\C=C\c2ccc(cc2)C(=O)NC2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C67H81N9O7/c1-41(68-6)60(77)73-56(65(82)75-39-50-19-9-8-18-49(50)37-57(75)63(80)71-54-24-14-20-46-16-10-12-22-52(46)54)36-45-30-28-43(29-31-45)26-27-44-32-34-48(35-33-44)62(79)70-51-38-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)76(40-51)66(83)59(67(3,4)5)74-61(78)42(2)69-7/h8-13,16-19,22-23,26-35,41-42,51,54-59,68-69H,14-15,20-21,24-25,36-40H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/b27-26+/t41-,42-,51?,54+,55+,56-,57?,58?,59+/m0/s1 YDZYKOLIKMVENZ-DKKVXTMGSA-N 249178 US9453048, 20 E3 ubiquitin-protein ligase XIAP [124-240] 1.25 25.00 C US Patent 10.7270/Q2057DV5 aid1803453 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249178&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 131635737 346543684 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489707 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O InChI=1S/C34H32F2N4O5/c1-20(37-3)31(42)38-27-19-40(32(43)24-14-12-22(13-15-24)21(2)41)29-11-7-6-10-28(29)39(33(27)44)18-26-25-9-5-4-8-23(25)16-17-30(26)45-34(35)36/h4-17,20,27,34,37H,18-19H2,1-3H3,(H,38,42)/t20-,27-/m0/s1 KWNFZHZGDAFIFB-DCFHFQCYSA-N 243163 US10053431, 69b::US10053431, 69n E3 ubiquitin-protein ligase XIAP [124-240] 11.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243163&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076623 376221549 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489709 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C33H33BrN4O4/c1-20-9-11-22(12-10-20)32(40)38-19-27(36-31(39)21(2)35-3)33(41)37(28-7-5-6-8-29(28)38)18-26-25-15-14-24(34)17-23(25)13-16-30(26)42-4/h5-17,21,27,35H,18-19H2,1-4H3,(H,36,39)/t21-,27-/m0/s1 KTHDFFITHWGQIL-IDISGSTGSA-N 50441833 CHEMBL2436334::US10053431, 75b E3 ubiquitin-protein ligase XIAP [124-240] 6.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441833&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711479 175454150 CHEMBL2436334 ZINC96285540 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489711 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccno2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C29H28BrN5O5/c1-17(31-2)27(36)33-22-16-35(29(38)26-12-13-32-40-26)24-7-5-4-6-23(24)34(28(22)37)15-21-20-10-9-19(30)14-18(20)8-11-25(21)39-3/h4-14,17,22,31H,15-16H2,1-3H3,(H,33,36)/t17-,22-/m0/s1 SZQOWYNAFZTCMS-JTSKRJEESA-N 243177 US10053431, 75c E3 ubiquitin-protein ligase XIAP [124-240] 5.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243177&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077244 376221561 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489713 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C31H35BrN4O5/c1-19(33-2)29(37)34-25-18-36(30(38)20-12-14-41-15-13-20)27-7-5-4-6-26(27)35(31(25)39)17-24-23-10-9-22(32)16-21(23)8-11-28(24)40-3/h4-11,16,19-20,25,33H,12-15,17-18H2,1-3H3,(H,34,37)/t19-,25-/m0/s1 IQUWZXYBQGCQKJ-DFBJGRDBSA-N 50441818 CHEMBL2436213::US10053431, 75d E3 ubiquitin-protein ligase XIAP [124-240] 6.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441818&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711928 175454135 CHEMBL2436213 ZINC96285526 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489715 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C28H31BrN4O6S/c1-17(30-2)27(35)31-22-15-32(26(34)16-40(4,37)38)23-7-5-6-8-24(23)33(28(22)36)14-21-20-11-10-19(29)13-18(20)9-12-25(21)39-3/h5-13,17,22,30H,14-16H2,1-4H3,(H,31,35)/t17-,22-/m0/s1 ADRJVDXZPHWNKH-JTSKRJEESA-N 50441810 CHEMBL2436215::US10053431, 76b E3 ubiquitin-protein ligase XIAP [124-240] 9.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441810&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711932 175454127 CHEMBL2436215 ZINC96285518 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489717 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cnccn2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C30H29BrN6O4/c1-18(32-2)28(38)35-24-17-37(29(39)23-15-33-12-13-34-23)26-7-5-4-6-25(26)36(30(24)40)16-22-21-10-9-20(31)14-19(21)8-11-27(22)41-3/h4-15,18,24,32H,16-17H2,1-3H3,(H,35,38)/t18-,24-/m0/s1 WNFDOEFATWINQC-UUOWRZLLSA-N 50441828 CHEMBL2436211::US10053431, 76c E3 ubiquitin-protein ligase XIAP [124-240] 9.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441828&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711724 175454145 CHEMBL2436211 ZINC96285535 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489719 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C34H34BrN5O5/c1-20(36-3)32(42)38-28-19-40(33(43)22-9-13-25(14-10-22)37-21(2)41)30-8-6-5-7-29(30)39(34(28)44)18-27-26-15-12-24(35)17-23(26)11-16-31(27)45-4/h5-17,20,28,36H,18-19H2,1-4H3,(H,37,41)(H,38,42)/t20-,28-/m0/s1 LZVAKEDICCBHKT-MMTVBGGISA-N 243181 US10053431, 76d E3 ubiquitin-protein ligase XIAP [124-240] 5.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243181&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077111 376221565 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489721 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccn(C)n2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C30H31BrN6O4/c1-18(32-2)28(38)33-24-17-37(29(39)23-13-14-35(3)34-23)26-8-6-5-7-25(26)36(30(24)40)16-22-21-11-10-20(31)15-19(21)9-12-27(22)41-4/h5-15,18,24,32H,16-17H2,1-4H3,(H,33,38)/t18-,24-/m0/s1 AEUZTKWFOPUNTM-UUOWRZLLSA-N 243182 US10053431, 76e E3 ubiquitin-protein ligase XIAP [124-240] 10.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243182&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077064 376221566 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489723 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccnc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C31H30BrN5O4/c1-19(33-2)29(38)35-25-18-37(30(39)21-7-6-14-34-16-21)27-9-5-4-8-26(27)36(31(25)40)17-24-23-12-11-22(32)15-20(23)10-13-28(24)41-3/h4-16,19,25,33H,17-18H2,1-3H3,(H,35,38)/t19-,25-/m0/s1 RBSVEPCXJWZPIY-DFBJGRDBSA-N 50441819 CHEMBL2436209::US10053431, 89b E3 ubiquitin-protein ligase XIAP [124-240] 5.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441819&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711720 175454136 CHEMBL2436209 ZINC96285527 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489725 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2ccccn2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C32H32BrN5O4/c1-20(34-2)31(40)36-26-19-37(30(39)17-23-8-6-7-15-35-23)27-9-4-5-10-28(27)38(32(26)41)18-25-24-13-12-22(33)16-21(24)11-14-29(25)42-3/h4-16,20,26,34H,17-19H2,1-3H3,(H,36,40)/t20-,26-/m0/s1 FFVWHZRSFAVZOH-FNZWTVRRSA-N 243184 US10053431, 89c E3 ubiquitin-protein ligase XIAP [124-240] 10.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243184&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076562 376221568 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489727 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2ccc(Cl)nc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C32H31BrClN5O4/c1-19(35-2)31(41)37-25-18-38(30(40)14-20-8-13-29(34)36-16-20)26-6-4-5-7-27(26)39(32(25)42)17-24-23-11-10-22(33)15-21(23)9-12-28(24)43-3/h4-13,15-16,19,25,35H,14,17-18H2,1-3H3,(H,37,41)/t19-,25-/m0/s1 HFZIOLXJKCBQDO-DFBJGRDBSA-N 243185 US10053431, 89d E3 ubiquitin-protein ligase XIAP [124-240] 6.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243185&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122552258 376221569 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489729 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cnn(C)c2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C30H31BrN6O4/c1-18(32-2)28(38)34-24-17-37(29(39)20-14-33-35(3)15-20)26-8-6-5-7-25(26)36(30(24)40)16-23-22-11-10-21(31)13-19(22)9-12-27(23)41-4/h5-15,18,24,32H,16-17H2,1-4H3,(H,34,38)/t18-,24-/m0/s1 XILMXZIFBUSEOU-UUOWRZLLSA-N 243186 US10053431, 89e E3 ubiquitin-protein ligase XIAP [124-240] 11.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243186&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077045 376221570 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489731 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C32H30BrFN4O4/c1-19(35-2)30(39)36-26-18-38(31(40)21-7-6-8-23(34)16-21)28-10-5-4-9-27(28)37(32(26)41)17-25-24-13-12-22(33)15-20(24)11-14-29(25)42-3/h4-16,19,26,35H,17-18H2,1-3H3,(H,36,39)/t19-,26-/m0/s1 BBDAMYDQPOZZEU-SIBVEZHUSA-N 50441817 CHEMBL2436332::US10053431, 90b E3 ubiquitin-protein ligase XIAP [124-240] 11.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441817&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711253 175454134 CHEMBL2436332 ZINC96285525 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489733 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(c2)C#N)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C33H30BrN5O4/c1-20(36-2)31(40)37-27-19-39(32(41)23-8-6-7-21(15-23)17-35)29-10-5-4-9-28(29)38(33(27)42)18-26-25-13-12-24(34)16-22(25)11-14-30(26)43-3/h4-16,20,27,36H,18-19H2,1-3H3,(H,37,40)/t20-,27-/m0/s1 WBUFZQQQUGFIQL-DCFHFQCYSA-N 243188 US10053431, 90c E3 ubiquitin-protein ligase XIAP [124-240] 6.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243188&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076676 376221572 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489735 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)S(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C33H33BrN4O6S/c1-20(35-2)31(39)36-27-19-38(32(40)21-9-13-24(14-10-21)45(4,42)43)29-8-6-5-7-28(29)37(33(27)41)18-26-25-15-12-23(34)17-22(25)11-16-30(26)44-3/h5-17,20,27,35H,18-19H2,1-4H3,(H,36,39)/t20-,27-/m0/s1 ODNRMXZHMWXBTG-DCFHFQCYSA-N 50441832 CHEMBL2436205::US10053431, 90d E3 ubiquitin-protein ligase XIAP [124-240] 6.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441832&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711481 175454149 CHEMBL2436205 ZINC96285539 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489737 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCOC)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C29H33BrN4O5/c1-18(31-2)28(36)32-23-17-33(27(35)13-14-38-3)24-7-5-6-8-25(24)34(29(23)37)16-22-21-11-10-20(30)15-19(21)9-12-26(22)39-4/h5-12,15,18,23,31H,13-14,16-17H2,1-4H3,(H,32,36)/t18-,23-/m0/s1 OSTWQFDDJBZQBY-MBSDFSHPSA-N 243190 US10053431, 90e E3 ubiquitin-protein ligase XIAP [124-240] 10.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243190&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076761 376221574 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489739 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccc2C#N)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C33H30BrN5O4/c1-20(36-2)31(40)37-27-19-39(32(41)25-9-5-4-8-22(25)17-35)29-11-7-6-10-28(29)38(33(27)42)18-26-24-14-13-23(34)16-21(24)12-15-30(26)43-3/h4-16,20,27,36H,18-19H2,1-3H3,(H,37,40)/t20-,27-/m0/s1 HDONNVBOHIVUBU-DCFHFQCYSA-N 243191 US10053431, 90f E3 ubiquitin-protein ligase XIAP [124-240] 20.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243191&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077067 376221575 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489741 CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C27H29BrN4O4/c1-16(29-3)26(34)30-22-15-31(17(2)33)23-7-5-6-8-24(23)32(27(22)35)14-21-20-11-10-19(28)13-18(20)9-12-25(21)36-4/h5-13,16,22,29H,14-15H2,1-4H3,(H,30,34)/t16-,22-/m0/s1 PBAVHKPUMOQYFD-AOMKIAJQSA-N 50441811 CHEMBL2436214::US10053431, 91b E3 ubiquitin-protein ligase XIAP [124-240] 15.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441811&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711930 175454128 CHEMBL2436214 ZINC96285519 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489743 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C)o2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C31H31BrN4O5/c1-18-9-13-28(41-18)31(39)36-17-24(34-29(37)19(2)33-3)30(38)35(25-7-5-6-8-26(25)36)16-23-22-12-11-21(32)15-20(22)10-14-27(23)40-4/h5-15,19,24,33H,16-17H2,1-4H3,(H,34,37)/t19-,24-/m0/s1 DFEWVWLUJFZIAY-CYFREDJKSA-N 50441831 CHEMBL2436212::US10053431, 91c E3 ubiquitin-protein ligase XIAP [124-240] 6.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441831&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711926 175454148 CHEMBL2436212 ZINC96285538 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489745 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(F)(F)F)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C33H30BrF3N4O4/c1-19(38-2)30(42)39-26-18-41(31(43)20-8-11-22(12-9-20)33(35,36)37)28-7-5-4-6-27(28)40(32(26)44)17-25-24-14-13-23(34)16-21(24)10-15-29(25)45-3/h4-16,19,26,38H,17-18H2,1-3H3,(H,39,42)/t19-,26-/m0/s1 ZKGFDAFPIRQCGA-SIBVEZHUSA-N 243194 US10053431, 91d E3 ubiquitin-protein ligase XIAP [124-240] 18.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243194&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077119 376221578 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489747 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2nnn[nH]2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O 243195 US10053431, 96b E3 ubiquitin-protein ligase XIAP [124-240] 71.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243195&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077183 376221579 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489749 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC2CCOCC2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C32H38N4O4/c1-21-12-13-24-8-4-5-9-25(24)26(21)19-36-29-11-7-6-10-28(29)35(30(37)18-23-14-16-40-17-15-23)20-27(32(36)39)34-31(38)22(2)33-3/h4-13,22-23,27,33H,14-20H2,1-3H3,(H,34,38)/t22-,27-/m0/s1 FKPUSQNNSDNGBB-CUNXSJBXSA-N 243196 US10053431, 96c E3 ubiquitin-protein ligase XIAP [124-240] 106 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243196&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076528 376221580 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489751 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C33H31N5O3/c1-21-12-15-24-8-4-5-9-26(24)27(21)19-37-29-10-6-7-11-30(29)38(32(40)25-16-13-23(18-34)14-17-25)20-28(33(37)41)36-31(39)22(2)35-3/h4-17,22,28,35H,19-20H2,1-3H3,(H,36,39)/t22-,28-/m0/s1 FWJQHHBSVNLJBA-DWACAAAGSA-N 243197 US10053431, 96d E3 ubiquitin-protein ligase XIAP [124-240] 46.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243197&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077170 376221581 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489753 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC2CCCCC2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C33H40N4O3/c1-22-17-18-25-13-7-8-14-26(25)27(22)20-37-30-16-10-9-15-29(30)36(31(38)19-24-11-5-4-6-12-24)21-28(33(37)40)35-32(39)23(2)34-3/h7-10,13-18,23-24,28,34H,4-6,11-12,19-21H2,1-3H3,(H,35,39)/t23-,28-/m0/s1 JWZHGQQKGZBONI-FIPFOOKPSA-N 243198 US10053431, 96e E3 ubiquitin-protein ligase XIAP [124-240] 685 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243198&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077049 376221582 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489755 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(Cl)cc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C32H31ClN4O3/c1-20-12-13-22-8-4-5-9-25(22)26(20)18-36-28-10-6-7-11-29(28)37(31(39)23-14-16-24(33)17-15-23)19-27(32(36)40)35-30(38)21(2)34-3/h4-17,21,27,34H,18-19H2,1-3H3,(H,35,38)/t21-,27-/m0/s1 YXTJOFXWLBJVQR-IDISGSTGSA-N 243199 US10053431, 96f E3 ubiquitin-protein ligase XIAP [124-240] 20.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243199&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077336 376221583 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489243 CN[C@@H](C)C(=O)N[C@H]1CNc2ccccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C24H26N4O2/c1-16(25-2)23(29)27-21-14-26-20-12-5-6-13-22(20)28(24(21)30)15-18-10-7-9-17-8-3-4-11-19(17)18/h3-13,16,21,25-26H,14-15H2,1-2H3,(H,27,29)/t16-,21-/m0/s1 PVVQVXNDKFTIGZ-KKSFZXQISA-N 50441803 CHEMBL2436228::US10053431, 1 E3 ubiquitin-protein ligase XIAP [124-240] 4388 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441803&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72713606 175454120 CHEMBL2436228 ZINC96285511 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489245 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(c2)C(C)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C34H34N4O4/c1-21-16-17-24-10-5-6-13-27(24)28(21)19-37-30-14-7-8-15-31(30)38(20-29(34(37)42)36-32(40)22(2)35-4)33(41)26-12-9-11-25(18-26)23(3)39/h5-18,22,29,35H,19-20H2,1-4H3,(H,36,40)/t22-,29-/m0/s1 KINJENSJGPVWTP-ZTOMLWHTSA-N 238896 US10053431, 96g E3 ubiquitin-protein ligase XIAP [124-240] 65.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238896&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076660 376221339 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489247 CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2ccccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C26H28N4O3/c1-17(27-3)25(32)28-22-16-29(18(2)31)23-13-6-7-14-24(23)30(26(22)33)15-20-11-8-10-19-9-4-5-12-21(19)20/h4-14,17,22,27H,15-16H2,1-3H3,(H,28,32)/t17-,22-/m0/s1 IYIIWFZSANEUHR-JTSKRJEESA-N 50441802 CHEMBL2436320::US10053431, 2 E3 ubiquitin-protein ligase XIAP [124-240] 928 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441802&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72714288 175454119 CHEMBL2436320 ZINC96285510 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489249 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2cccnc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C32H33N5O3/c1-21-14-15-24-10-4-5-11-25(24)26(21)19-37-29-13-7-6-12-28(29)36(30(38)17-23-9-8-16-34-18-23)20-27(32(37)40)35-31(39)22(2)33-3/h4-16,18,22,27,33H,17,19-20H2,1-3H3,(H,35,39)/t22-,27-/m0/s1 HYOHNXGIXPHQAC-CUNXSJBXSA-N 238898 US10053431, 96h E3 ubiquitin-protein ligase XIAP [124-240] 23.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238898&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076630 376221340 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489251 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C29H34N4O3/c1-19(2)16-27(34)32-18-24(31-28(35)20(3)30-4)29(36)33(26-15-8-7-14-25(26)32)17-22-12-9-11-21-10-5-6-13-23(21)22/h5-15,19-20,24,30H,16-18H2,1-4H3,(H,31,35)/t20-,24-/m0/s1 BLUPXWDSMIGSEC-RDPSFJRHSA-N 50441801 CHEMBL2436321::US10053431, 3 E3 ubiquitin-protein ligase XIAP [124-240] 611 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441801&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72714290 175454118 CHEMBL2436321 ZINC96285509 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489253 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C32H31FN4O3/c1-20-12-13-22-8-4-5-9-25(22)26(20)18-36-28-10-6-7-11-29(28)37(31(39)23-14-16-24(33)17-15-23)19-27(32(36)40)35-30(38)21(2)34-3/h4-17,21,27,34H,18-19H2,1-3H3,(H,35,38)/t21-,27-/m0/s1 CMJNJLAZFRPIHF-IDISGSTGSA-N 239257 US10053431, 96i E3 ubiquitin-protein ligase XIAP [124-240] 30.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239257&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077265 376221342 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489255 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2ccccc2)c2ccccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C32H32N4O3/c1-22(33-2)31(38)34-27-21-35(30(37)19-23-11-4-3-5-12-23)28-17-8-9-18-29(28)36(32(27)39)20-25-15-10-14-24-13-6-7-16-26(24)25/h3-18,22,27,33H,19-21H2,1-2H3,(H,34,38)/t22-,27-/m0/s1 BVWILJUJLQSYCT-CUNXSJBXSA-N 239258 (S)-2-Methylamino-N—((S)-1-naphthalen-1-ylmethyl-2-oxo-5-phenylacetyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-propionamide hydrochloride::US10053431, 4 E3 ubiquitin-protein ligase XIAP [124-240] 409 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239258&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076972 376221343 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489257 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(N)c2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C32H33N5O3/c1-20-15-16-22-9-4-5-12-25(22)26(20)18-36-28-13-6-7-14-29(28)37(31(39)23-10-8-11-24(33)17-23)19-27(32(36)40)35-30(38)21(2)34-3/h4-17,21,27,34H,18-19,33H2,1-3H3,(H,35,38)/t21-,27-/m0/s1 VQGSSRFNAZBYOL-IDISGSTGSA-N 239313 US10053431, 96j::US10053431, 96k E3 ubiquitin-protein ligase XIAP [124-240] 29.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239313&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077394 376221344 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489259 CN[C@@H](C)C(=O)N[C@H]1CN(C)c2ccccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C25H28N4O2/c1-17(26-2)24(30)27-21-16-28(3)22-13-6-7-14-23(22)29(25(21)31)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-14,17,21,26H,15-16H2,1-3H3,(H,27,30)/t17-,21-/m0/s1 SFOIEDLMYJHJGW-UWJYYQICSA-N 50441805 CHEMBL2436322::US10053431, 5 E3 ubiquitin-protein ligase XIAP [124-240] 4363 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441805&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72714293 175454122 CHEMBL2436322 ZINC96285513 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489261 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(N)c2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C32H33N5O3/c1-20-15-16-22-9-4-5-12-25(22)26(20)18-36-28-13-6-7-14-29(28)37(31(39)23-10-8-11-24(33)17-23)19-27(32(36)40)35-30(38)21(2)34-3/h4-17,21,27,34H,18-19,33H2,1-3H3,(H,35,38)/t21-,27-/m0/s1 VQGSSRFNAZBYOL-IDISGSTGSA-N 239313 US10053431, 96j::US10053431, 96k E3 ubiquitin-protein ligase XIAP [124-240] 38.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239313&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077394 376221344 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489263 CN[C@@H](C)C(=O)N[C@H]1CN(CCC(C)C)c2ccccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C29H36N4O2/c1-20(2)16-17-32-19-25(31-28(34)21(3)30-4)29(35)33(27-15-8-7-14-26(27)32)18-23-12-9-11-22-10-5-6-13-24(22)23/h5-15,20-21,25,30H,16-19H2,1-4H3,(H,31,34)/t21-,25-/m0/s1 HGJIBFVQRAYBID-OFVILXPXSA-N 50441804 CHEMBL2436323::US10053431, 6 E3 ubiquitin-protein ligase XIAP [124-240] 2618 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441804&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72714295 175454121 CHEMBL2436323 ZINC96285512 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489265 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(OC)cc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C33H34N4O4/c1-21-13-14-23-9-5-6-10-26(23)27(21)19-36-29-11-7-8-12-30(29)37(32(39)24-15-17-25(41-4)18-16-24)20-28(33(36)40)35-31(38)22(2)34-3/h5-18,22,28,34H,19-20H2,1-4H3,(H,35,38)/t22-,28-/m0/s1 AVQYOVIAYBZGCX-DWACAAAGSA-N 239390 US10053431, 96l E3 ubiquitin-protein ligase XIAP [124-240] 37.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239390&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076629 376221346 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489267 CN[C@@H](C)C(=O)N[C@H]1CN(CCc2ccccc2)c2ccccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C32H34N4O2/c1-23(33-2)31(37)34-28-22-35(20-19-24-11-4-3-5-12-24)29-17-8-9-18-30(29)36(32(28)38)21-26-15-10-14-25-13-6-7-16-27(25)26/h3-18,23,28,33H,19-22H2,1-2H3,(H,34,37)/t23-,28-/m0/s1 VLOSAUPRZMBEGJ-FIPFOOKPSA-N 239419 (S)-2-Methylamino-N—((S)-1-naphthalen-1-ylmethyl-2-oxo-5-phenethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-propionamide trifluoroacetate::US10053431, 7 E3 ubiquitin-protein ligase XIAP [124-240] 1555 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239419&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076678 340132697 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489269 CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(=O)(=O)NC InChI=1S/C26H31N5O4S/c1-17-13-14-19-9-5-6-10-20(19)21(17)15-30-23-11-7-8-12-24(23)31(36(34,35)28-4)16-22(26(30)33)29-25(32)18(2)27-3/h5-14,18,22,27-28H,15-16H2,1-4H3,(H,29,32)/t18-,22-/m0/s1 UQLXBECWUIVNNI-AVRDEDQJSA-N 239445 US10053431, 98b E3 ubiquitin-protein ligase XIAP [124-240] 188 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239445&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077090 376221347 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489271 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C30H36N4O3/c1-19(2)16-28(35)33-18-25(32-29(36)21(4)31-5)30(37)34(27-13-9-8-12-26(27)33)17-24-20(3)14-15-22-10-6-7-11-23(22)24/h6-15,19,21,25,31H,16-18H2,1-5H3,(H,32,36)/t21-,25-/m0/s1 YJFRQTOILXCRIK-OFVILXPXSA-N 50441797 CHEMBL2436327::US10053431, 8 E3 ubiquitin-protein ligase XIAP [124-240] 383 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441797&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72713610 175454114 CHEMBL2436327 ZINC96285504 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489273 CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(=O)(=O)c1ccc(cc1)C(C)=O InChI=1S/C33H34N4O5S/c1-21-13-14-25-9-5-6-10-27(25)28(21)19-36-30-11-7-8-12-31(30)37(20-29(33(36)40)35-32(39)22(2)34-4)43(41,42)26-17-15-24(16-18-26)23(3)38/h5-18,22,29,34H,19-20H2,1-4H3,(H,35,39)/t22-,29-/m0/s1 OYOCBORPXQCJHB-ZTOMLWHTSA-N 239516 US10053431, 98c E3 ubiquitin-protein ligase XIAP [124-240] 204 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=239516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=239516&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077055 376221349 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489275 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccncc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C31H31N5O3/c1-20-12-13-22-8-4-5-9-24(22)25(20)18-35-27-10-6-7-11-28(27)36(30(38)23-14-16-33-17-15-23)19-26(31(35)39)34-29(37)21(2)32-3/h4-17,21,26,32H,18-19H2,1-3H3,(H,34,37)/t21-,26-/m0/s1 WZIJQOUXQZOANR-LVXARBLLSA-N 240239 (S)-2-Methylamino-N—[(S)-1-(2-methyl-naphthalen-1-naphthalen-1 ylmethyl)-2-oxo-5-(pyridine-4-carbonyl)-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-propionamide hydrochloride::US10053431, 9 E3 ubiquitin-protein ligase XIAP [124-240] 520 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240239&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118086438 376221350 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489277 CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O InChI=1S/C31H31N5O6S/c1-20-12-13-22-8-4-5-9-25(22)26(20)18-34-28-10-6-7-11-29(28)35(19-27(31(34)38)33-30(37)21(2)32-3)43(41,42)24-16-14-23(15-17-24)36(39)40/h4-17,21,27,32H,18-19H2,1-3H3,(H,33,37)/t21-,27-/m0/s1 UKJCAVJNBGIXQF-IDISGSTGSA-N 241189 US10053431, 98d E3 ubiquitin-protein ligase XIAP [124-240] 182 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241189&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076823 376221351 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489279 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)COCCOC)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C30H36N4O5/c1-20-13-14-22-9-5-6-10-23(22)24(20)17-34-27-12-8-7-11-26(27)33(28(35)19-39-16-15-38-4)18-25(30(34)37)32-29(36)21(2)31-3/h5-14,21,25,31H,15-19H2,1-4H3,(H,32,36)/t21-,25-/m0/s1 ZSDHXPRMBBKSNO-OFVILXPXSA-N 241191 (S)—N—[(S)-5-[2-(2-methoxy-ethoxy)-acetyl]-1-(2-methyl-naphthalen-1-ylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-2-methylamino-propionamide hydrochloride::US10053431, 10 E3 ubiquitin-protein ligase XIAP [124-240] 364 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241191&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077224 376221352 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489281 CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(=O)(=O)c1ccccc1 InChI=1S/C31H32N4O4S/c1-21-17-18-23-11-7-8-14-25(23)26(21)19-34-28-15-9-10-16-29(28)35(40(38,39)24-12-5-4-6-13-24)20-27(31(34)37)33-30(36)22(2)32-3/h4-18,22,27,32H,19-20H2,1-3H3,(H,33,36)/t22-,27-/m0/s1 OFVYHQRRFQEYLE-CUNXSJBXSA-N 241212 US10053431, 98e E3 ubiquitin-protein ligase XIAP [124-240] 133 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241212&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076892 376221353 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489283 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(N)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C28H31N5O4/c1-17-12-13-19-8-4-5-9-20(19)21(17)15-33-24-11-7-6-10-23(24)32(26(35)14-25(29)34)16-22(28(33)37)31-27(36)18(2)30-3/h4-13,18,22,30H,14-16H2,1-3H3,(H2,29,34)(H,31,36)/t18-,22-/m0/s1 BUQBEWDAVVZXLE-AVRDEDQJSA-N 241258 (S)—N—[(S)-5-(2-Carbamoyl-acetyl)-1-(2-methyl-naphthalen-1-ylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-2-methylamino-propionamide hydrochloride::US10053431, 11 E3 ubiquitin-protein ligase XIAP [124-240] 426 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241258&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077074 376221354 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489285 CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(=O)(=O)c1ccc(OC)cc1 InChI=1S/C32H34N4O5S/c1-21-13-14-23-9-5-6-10-26(23)27(21)19-35-29-11-7-8-12-30(29)36(20-28(32(35)38)34-31(37)22(2)33-3)42(39,40)25-17-15-24(41-4)16-18-25/h5-18,22,28,33H,19-20H2,1-4H3,(H,34,37)/t22-,28-/m0/s1 BRVFBTWDEKUMFH-DWACAAAGSA-N 241366 US10053431, 98f E3 ubiquitin-protein ligase XIAP [124-240] 177 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241366&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076717 376221355 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489287 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CN2CCN(C)CC2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C32H40N6O3/c1-22-13-14-24-9-5-6-10-25(24)26(22)19-38-29-12-8-7-11-28(29)37(30(39)21-36-17-15-35(4)16-18-36)20-27(32(38)41)34-31(40)23(2)33-3/h5-14,23,27,33H,15-21H2,1-4H3,(H,34,40)/t23-,27-/m0/s1 GEPDCKPUAWJVJS-HOFKKMOUSA-N 241602 (S)-2-methylamino-N—{(S)-1(2-methyl-naphthalen-1-ylmethyl)-5-[2-(4-methyl-piperazin-1-yl)-acetyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl}-propionamide hydrochloride::US10053431, 12 E3 ubiquitin-protein ligase XIAP [124-240] 820 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241602&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076813 376221356 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489289 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C34H35BrN4O5/c1-20(36-3)32(41)37-28-19-39(33(42)23-11-9-22(10-12-23)21(2)40)30-8-6-5-7-29(30)38(34(28)43)18-27-26-15-14-25(35)17-24(26)13-16-31(27)44-4/h5-17,20-21,28,36,40H,18-19H2,1-4H3,(H,37,41)/t20-,21?,28-/m0/s1 LNZZPMFSHPPZAH-ZWCJHOFGSA-N 241607 (2S)-N-((3S)-1-((6-bromo-2- methoxynaphthalen-1-yl)methyl)-5-(4-(1- hydroxyethyl)benzoyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide::BDBM242602::US10053431, 103::US10053431, 104 E3 ubiquitin-protein ligase XIAP [124-240] 9.14 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241607&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076904 376221357 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489291 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)COCCOCCOC)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C32H40N4O6/c1-22-13-14-24-9-5-6-10-25(24)26(22)19-36-29-12-8-7-11-28(29)35(30(37)21-42-18-17-41-16-15-40-4)20-27(32(36)39)34-31(38)23(2)33-3/h5-14,23,27,33H,15-21H2,1-4H3,(H,34,38)/t23-,27-/m0/s1 VHGLIEZYKBMCEQ-HOFKKMOUSA-N 241615 (S)—N—[(S)-5-{2-[2-(2-Methoxy-ethoxy)-ethoxy]-acetyl}-1-(2-methyl-naphthalen-1-ylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-2-methylamino-propionamide hydrochloride::US10053431, 13 E3 ubiquitin-protein ligase XIAP [124-240] 234 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241615&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076715 376221358 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489293 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C34H35BrN4O5/c1-20(36-3)32(41)37-28-19-39(33(42)23-11-9-22(10-12-23)21(2)40)30-8-6-5-7-29(30)38(34(28)43)18-27-26-15-14-25(35)17-24(26)13-16-31(27)44-4/h5-17,20-21,28,36,40H,18-19H2,1-4H3,(H,37,41)/t20-,21?,28-/m0/s1 LNZZPMFSHPPZAH-ZWCJHOFGSA-N 241607 (2S)-N-((3S)-1-((6-bromo-2- methoxynaphthalen-1-yl)methyl)-5-(4-(1- hydroxyethyl)benzoyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide::BDBM242602::US10053431, 103::US10053431, 104 E3 ubiquitin-protein ligase XIAP [124-240] 12.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241607&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076904 376221357 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489295 CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C27H30N4O3/c1-17-13-14-20-9-5-6-10-21(20)22(17)15-31-25-12-8-7-11-24(25)30(19(3)32)16-23(27(31)34)29-26(33)18(2)28-4/h5-14,18,23,28H,15-16H2,1-4H3,(H,29,33)/t18-,23-/m0/s1 XGHINJSUQKBCFU-MBSDFSHPSA-N 241648 (S)—N—[(S)-5-acetyl-1-(2-methyl-naphthalen-1-ylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-2-methylamino-propionamide hydrochloride::US10053431, 14 E3 ubiquitin-protein ligase XIAP [124-240] 244 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241648&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118086412 376221359 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489297 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(CC(=O)Nc2cccc3ccccc23)C1=O InChI=1S/C34H33N5O5/c1-21(35-3)32(42)37-28-19-38(33(43)25-17-15-23(16-18-25)22(2)40)29-13-6-7-14-30(29)39(34(28)44)20-31(41)36-27-12-8-10-24-9-4-5-11-26(24)27/h4-18,21,28,35H,19-20H2,1-3H3,(H,36,41)(H,37,42)/t21-,28-/m0/s1 LVLHNAAVZVZZSV-KMRXNPHXSA-N 241649 (2S)-N-[(3S)-1-(4-acetylbenzoyl)-5-[2- (naphthalen-1-ylamino)-2-oxoethyl]-4- oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]- 2-(methylamino)propanamide;2,2,2- trifluoroacetic acid::US10053431, 105 E3 ubiquitin-protein ligase XIAP [124-240] 503 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241649&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531454 376221360 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489299 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCC(O)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C30H34N4O5/c1-19-15-16-21-9-4-5-10-22(21)23(19)17-34-26-12-7-6-11-25(26)33(27(35)13-8-14-28(36)37)18-24(30(34)39)32-29(38)20(2)31-3/h4-7,9-12,15-16,20,24,31H,8,13-14,17-18H2,1-3H3,(H,32,38)(H,36,37)/t20-,24-/m0/s1 COJWRLRWHVCSIG-RDPSFJRHSA-N 241657 5-[(S)-3-((S)-2-Methylamino-propionylamino)-5-(2-methyl-naphthalen-1-ylmethyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-5-oxo-pentanoic acid hydrochloride::US10053431, 15 E3 ubiquitin-protein ligase XIAP [124-240] 76.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241657&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076635 376221361 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489301 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(CC(=O)Nc2nccs2)C1=O InChI=1S/C27H28N6O5S/c1-16(28-3)24(36)30-20-14-32(25(37)19-10-8-18(9-11-19)17(2)34)21-6-4-5-7-22(21)33(26(20)38)15-23(35)31-27-29-12-13-39-27/h4-13,16,20,28H,14-15H2,1-3H3,(H,30,36)(H,29,31,35)/t16-,20-/m0/s1 VOWGDTLUUUNJEC-JXFKEZNVSA-N 241658 (25)-N-[(35)-1-(4-acetylbenzoyl)-4-oxo-5- [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]- 2,3-dihydro-1,5-benzodiazepin-3-yl]-2- (methylamino)propanamide;2,2,2- trifluoroacetic acid::US10053431, 106 E3 ubiquitin-protein ligase XIAP [124-240] 238 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241658&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531375 376221362 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489303 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCC(O)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C29H32N4O5/c1-18-12-13-20-8-4-5-9-21(20)22(18)16-33-25-11-7-6-10-24(25)32(26(34)14-15-27(35)36)17-23(29(33)38)31-28(37)19(2)30-3/h4-13,19,23,30H,14-17H2,1-3H3,(H,31,37)(H,35,36)/t19-,23-/m0/s1 LFQRRIJJVBFKIS-CVDCTZTESA-N 241671 4-[(S)-3-((S)-2-Methylamino-propionylamino)-5-(2-methyl-naphthalen-1-ylmethyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-4-oxo-butyric acid hydrochloride::US10053431, 16 E3 ubiquitin-protein ligase XIAP [124-240] 126 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241671&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076486 376221363 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489305 CN[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ccc(cc2)[N+]([O-])=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C33H32BrN5O6/c1-20(35-2)31(40)36(3)29-19-38(32(41)21-9-13-24(14-10-21)39(43)44)28-8-6-5-7-27(28)37(33(29)42)18-26-25-15-12-23(34)17-22(25)11-16-30(26)45-4/h5-17,20,29,35H,18-19H2,1-4H3/t20-,29-/m0/s1 KKYBDKUVDMXIKG-WRONEBCDSA-N 241672 (S)-N-((S)-1-((6-bromo-2- methoxynaphthalen-1-yl)methyl)-5-(4- nitrobenzoyl)-2-oxo-2,3,4,5-tetrahydro- 1H-benzo[b][1,4]diazepin-3-yl)-N- methyl-2-(methylamino)propanamide hydrochloride::US10053431, 107 E3 ubiquitin-protein ligase XIAP [124-240] 146 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241672&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077151 376221364 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489307 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NC)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C27H31N5O3/c1-17-13-14-19-9-5-6-10-20(19)21(17)15-31-23-11-7-8-12-24(23)32(27(35)29-4)16-22(26(31)34)30-25(33)18(2)28-3/h5-14,18,22,28H,15-16H2,1-4H3,(H,29,35)(H,30,33)/t18-,22-/m0/s1 ZWOABPMSDSIAAD-AVRDEDQJSA-N 241682 (S)-3-((S)-2-Methylamino-propionylamino)-5-(2-methyl-naphthalen-1-ylmethyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carboxylic acid methylamide hydrochloride::US10053431, 17 E3 ubiquitin-protein ligase XIAP [124-240] 1434 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241682&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077219 376221365 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489309 CN[C@@H](C)C(=O)N[C@H]1CN2c3ccccc3N(Cc3c(OC)ccc4cc(ccc34)C(=O)NCC2=O)C1=O InChI=1S/C28H29N5O5/c1-16(29-2)26(35)31-21-15-32-22-6-4-5-7-23(22)33(28(21)37)14-20-19-10-8-18(27(36)30-13-25(32)34)12-17(19)9-11-24(20)38-3/h4-12,16,21,29H,13-15H2,1-3H3,(H,30,36)(H,31,35)/t16-,21-/m0/s1 FEKGYZNXNRHBPQ-KKSFZXQISA-N 241683 Cyclic-5-[(S)-5-(3-Amino-acetyl)-3-((S)-2- methylamino-propionylamino)-2-oxo-2,3,4,5- tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]- 6-methoxy-naphthalene-2-carboxylic amide hydrochloride::US10053431, 108 E3 ubiquitin-protein ligase XIAP [124-240] 17.2 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241683&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122552397 376221366 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489311 CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(=O)(=O)CS(C)(=O)=O InChI=1S/C27H32N4O6S2/c1-18-13-14-20-9-5-6-10-21(20)22(18)15-30-24-11-7-8-12-25(24)31(39(36,37)17-38(4,34)35)16-23(27(30)33)29-26(32)19(2)28-3/h5-14,19,23,28H,15-17H2,1-4H3,(H,29,32)/t19-,23-/m0/s1 RAUKLMVKCSKQSO-CVDCTZTESA-N 241690 (S)—N—[(S)-5-Methanesulfonylmethanesulfonyl-1-(2-methyl-naphthalen-1-ylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-2-methylamino-propionamide trifluoroacetate::US10053431, 18 E3 ubiquitin-protein ligase XIAP [124-240] 590 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241690&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076575 376221367 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489313 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(CC(=O)Nc2nc3ccccc3s2)C1=O InChI=1S/C31H30N6O5S/c1-18(32-3)28(40)33-23-16-36(29(41)21-14-12-20(13-15-21)19(2)38)24-9-5-6-10-25(24)37(30(23)42)17-27(39)35-31-34-22-8-4-7-11-26(22)43-31/h4-15,18,23,32H,16-17H2,1-3H3,(H,33,40)(H,34,35,39)/t18-,23-/m0/s1 PJTRUGDAMFFNAG-MBSDFSHPSA-N 241698 (2S)-N-[(3S)-1-(4-acetylbenzoyl)-5-[2- (1,3-benzothiazol-2-ylamino)-2- oxoethyl]-4-oxo-2,3-dihydro-1,5- benzodiazepin-3-yl]-2- (methylamino)propanamide;2,2,2- trifluoroacctic acid::US10053431, 109 E3 ubiquitin-protein ligase XIAP [124-240] 121 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241698&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531536 376221368 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489315 CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(C)(=O)=O InChI=1S/C26H30N4O4S/c1-17-13-14-19-9-5-6-10-20(19)21(17)15-29-23-11-7-8-12-24(23)30(35(4,33)34)16-22(26(29)32)28-25(31)18(2)27-3/h5-14,18,22,27H,15-16H2,1-4H3,(H,28,31)/t18-,22-/m0/s1 JASWQEPLVCSAEY-AVRDEDQJSA-N 241699 (S)—N—[(S)-5-methanesulfonyl-1-(2-methyl-naphthalen-1-ylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-2-methylamino-propionamide hydrochloride::US10053431, 19 E3 ubiquitin-protein ligase XIAP [124-240] 620 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241699&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077107 376221369 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489317 CN[C@@H](C)C(=O)NC1C(=O)N(Cc2c(OC)ccc3ccccc23)c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C1=O InChI=1S/C36H42N4O4/c1-22(37-2)33(41)38-32-34(42)39(20-28-27-9-5-4-8-26(27)12-13-31(28)44-3)29-10-6-7-11-30(29)40(35(32)43)21-36-17-23-14-24(18-36)16-25(15-23)19-36/h4-13,22-25,32,37H,14-21H2,1-3H3,(H,38,41)/t22-,23?,24?,25?,32?,36?/m0/s1 ROIZRCWZUQNFED-WQJYIYLMSA-N 241700 (2S)-N-[5-(1-adamantylmethyl)-1-[(2- methoxynaphthalen-1-yl)methyl]-2,4- dioxo-1,5-benzodiazepin-3-yl]-2- (methylamino)propanamide::US10053431, 110 E3 ubiquitin-protein ligase XIAP [124-240] 278 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241700&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531373 376221370 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489319 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)OC)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C27H30N4O4/c1-17-13-14-19-9-5-6-10-20(19)21(17)15-30-23-11-7-8-12-24(23)31(27(34)35-4)16-22(26(30)33)29-25(32)18(2)28-3/h5-14,18,22,28H,15-16H2,1-4H3,(H,29,32)/t18-,22-/m0/s1 DRJYXRCWKFVLTM-AVRDEDQJSA-N 241701 ((S)-3-((S)-2-Methylamino-propionylamino)-5-(2-methyl-naphthalen-1-ylmethyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carboxylic acid methyl ester hydrochloride::US10053431, 20 E3 ubiquitin-protein ligase XIAP [124-240] 588 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241701&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077187 376221371 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489321 COc1ccc2ccccc2c1CN1c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C(=O)C(NC(=O)[C@H](C)N)C1=O InChI=1S/C35H40N4O4/c1-21(36)32(40)37-31-33(41)38(19-27-26-8-4-3-7-25(26)11-12-30(27)43-2)28-9-5-6-10-29(28)39(34(31)42)20-35-16-22-13-23(17-35)15-24(14-22)18-35/h3-12,21-24,31H,13-20,36H2,1-2H3,(H,37,40)/t21-,22?,23?,24?,31?,35?/m0/s1 FLYPMMIOPVMWBS-LWMOJHMESA-N 242408 (2S)-N-[5-(1-adamantylmethyl)-1-[(2- methoxynaphthalen-1-yl)methyl]-2,4- dioxo-1,5-benzodiazepin-3-yl]-2- aminopropanamide::US10053431, 111 E3 ubiquitin-protein ligase XIAP [124-240] 295 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242408&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531539 376221372 C03803 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489323 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2ccccc2)C1=O InChI=1S/C25H32N4O3/c1-17(2)14-23(30)28-16-20(27-24(31)18(3)26-4)25(32)29(15-19-10-6-5-7-11-19)22-13-9-8-12-21(22)28/h5-13,17-18,20,26H,14-16H2,1-4H3,(H,27,31)/t18-,20-/m0/s1 IPXXXYPQWFDVHU-ICSRJNTNSA-N 50441800 CHEMBL2436324::US10053431, 21 E3 ubiquitin-protein ligase XIAP [124-240] 2773 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441800&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711021 175454117 CHEMBL2436324 ZINC96285508 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489325 CN[C@@H](C)C(=O)N[C@H]1CN2c3ccccc3N(Cc3c(OC)ccc4cc(ccc34)C(=O)N(C)CCCC2=O)C1=O InChI=1S/C31H35N5O5/c1-19(32-2)29(38)33-24-18-35-25-8-5-6-9-26(25)36(31(24)40)17-23-22-13-11-21(16-20(22)12-14-27(23)41-4)30(39)34(3)15-7-10-28(35)37/h5-6,8-9,11-14,16,19,24,32H,7,10,15,17-18H2,1-4H3,(H,33,38)/t19-,24-/m0/s1 RTKCXJJVDINMFF-CYFREDJKSA-N 242579 Cyclic-5-[(S)-5-(3-Amino-pentanoyl)-3-((S)-2- methylamino-propionylamino)-2-oxo-2,3,4,5- tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]- 6-methoxy-naphthalene-2-carboxylic amide hydrochloride::US10053431, 112 E3 ubiquitin-protein ligase XIAP [124-240] 248 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242579&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122552393 376221374 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489327 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2ccccc2OC)C1=O InChI=1S/C26H34N4O4/c1-17(2)14-24(31)29-16-20(28-25(32)18(3)27-4)26(33)30(22-12-8-7-11-21(22)29)15-19-10-6-9-13-23(19)34-5/h6-13,17-18,20,27H,14-16H2,1-5H3,(H,28,32)/t18-,20-/m0/s1 HUSFXTPAUXUGAL-ICSRJNTNSA-N 242580 (S)—N—[(S)-1-(2-Methoxy-benzyl)-5-(3-methyl-butyryl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-2-methylamino-propionamide hydrochloride::US10053431, 22 E3 ubiquitin-protein ligase XIAP [124-240] 3165 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242580&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118086576 376221375 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489329 CC[C@H](NC)C(=O)NC1C(=O)N(Cc2c(OC)ccc3ccccc23)c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C1=O InChI=1S/C37H44N4O4/c1-4-29(38-2)34(42)39-33-35(43)40(21-28-27-10-6-5-9-26(27)13-14-32(28)45-3)30-11-7-8-12-31(30)41(36(33)44)22-37-18-23-15-24(19-37)17-25(16-23)20-37/h5-14,23-25,29,33,38H,4,15-22H2,1-3H3,(H,39,42)/t23?,24?,25?,29-,33?,37?/m0/s1 VFSUZEYGCPPYKQ-QAZDTREQSA-N 242581 (2S)-N-[5-(1-adamantylmethyl)-1-[(2- methoxynaphthalen-1-yl)methyl]-2,4- dioxo-1,5-benzodiazepin-3-yl]-2- (methylamino)butanamide::US10053431, 113 E3 ubiquitin-protein ligase XIAP [124-240] 324 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242581&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531436 376221376 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489331 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(CCc2ccccc2)C1=O InChI=1S/C26H34N4O3/c1-18(2)16-24(31)30-17-21(28-25(32)19(3)27-4)26(33)29(22-12-8-9-13-23(22)30)15-14-20-10-6-5-7-11-20/h5-13,18-19,21,27H,14-17H2,1-4H3,(H,28,32)/t19-,21-/m0/s1 PSGSLGLCJFCTCM-FPOVZHCZSA-N 50441799 CHEMBL2436325::US10053431, 23 E3 ubiquitin-protein ligase XIAP [124-240] 6752 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441799&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711023 175454116 CHEMBL2436325 ZINC96285507 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489333 CC[C@H](NC)C(=O)NC1C(=O)N(C)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C27H30N4O3/c1-5-21(28-3)25(32)29-24-26(33)30(4)22-12-8-9-13-23(22)31(27(24)34)16-20-17(2)14-15-18-10-6-7-11-19(18)20/h6-15,21,24,28H,5,16H2,1-4H3,(H,29,32)/t21-,24?/m0/s1 DESGHHDJGPNBIT-XEGCMXMBSA-N 242583 (2S)-N-(1-methyl-5-((2- methylnaphthalen-1-yl)methyl)-2,4- dioxo-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)butanamide::US10053431, 114 E3 ubiquitin-protein ligase XIAP [124-240] 530 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242583&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531412 376221378 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489335 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O InChI=1S/C30H36N4O4/c1-19(2)16-28(35)33-18-24(32-29(36)20(3)31-4)30(37)34(26-13-9-8-12-25(26)33)17-23-22-11-7-6-10-21(22)14-15-27(23)38-5/h6-15,19-20,24,31H,16-18H2,1-5H3,(H,32,36)/t20-,24-/m0/s1 OMGSWRKTEWFWDD-RDPSFJRHSA-N 50441796 CHEMBL2436328::US10053431, 24 E3 ubiquitin-protein ligase XIAP [124-240] 150 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441796&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711027 175454113 CHEMBL2436328 ZINC96285503 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489337 CC[C@H](NC)C(=O)NC1C(=O)N(Cc2c(C)ccc3ccccc23)c2ccccc2N(c2ccccc2)C1=O InChI=1S/C32H32N4O3/c1-4-26(33-3)30(37)34-29-31(38)35(20-25-21(2)18-19-22-12-8-9-15-24(22)25)27-16-10-11-17-28(27)36(32(29)39)23-13-6-5-7-14-23/h5-19,26,29,33H,4,20H2,1-3H3,(H,34,37)/t26-,29?/m0/s1 WQTWHRXSRYKUOM-QUWDGAPNSA-N 242585 (2S)-2-(methylamino)-N-(1-((2- methylnaphthalen-1-yl)methyl)-2,4- dioxo-5-phenyl-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazcpin-3-yl)butanamide::US10053431, 115 E3 ubiquitin-protein ligase XIAP [124-240] 68.7 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242585&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076750 376221380 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489339 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(C(C)c2cccc3ccccc23)C1=O InChI=1S/C30H36N4O3/c1-19(2)17-28(35)33-18-25(32-29(36)20(3)31-5)30(37)34(27-16-9-8-15-26(27)33)21(4)23-14-10-12-22-11-6-7-13-24(22)23/h6-16,19-21,25,31H,17-18H2,1-5H3,(H,32,36)/t20-,21?,25-/m0/s1 DUYGVDDNRZRAPH-HAYYQKKZSA-N 50441798 CHEMBL2436326::US10053431, 25 E3 ubiquitin-protein ligase XIAP [124-240] 2226 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441798&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711025 175454115 CHEMBL2436326 ZINC96285506 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489341 CN[C@@H](C)C(=O)NC1C(=O)N(Cc2c(C)ccc3ccccc23)c2ccccc2N(c2ccccc2)C1=O InChI=1S/C31H30N4O3/c1-20-17-18-22-11-7-8-14-24(22)25(20)19-34-26-15-9-10-16-27(26)35(23-12-5-4-6-13-23)31(38)28(30(34)37)33-29(36)21(2)32-3/h4-18,21,28,32H,19H2,1-3H3,(H,33,36)/t21-,28?/m0/s1 SDKJKQSILYPXOB-QDLLFRBVSA-N 242587 (2S)-2-(methylamino)-N-(1-((2- methylnaphthalen-1-yl)methyl)-2,4- dioxo-5-phenyl-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)propanamide::US10053431, 116 E3 ubiquitin-protein ligase XIAP [124-240] 39.8 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242587&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077103 376221382 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489343 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C30H35BrN4O4/c1-18(2)14-28(36)34-17-24(33-29(37)19(3)32-4)30(38)35(26-9-7-6-8-25(26)34)16-23-22-12-11-21(31)15-20(22)10-13-27(23)39-5/h6-13,15,18-19,24,32H,14,16-17H2,1-5H3,(H,33,37)/t19-,24-/m0/s1 RBYCERGIKPUFHO-CYFREDJKSA-N 50441823 CHEMBL2436329::US10053431, 26 E3 ubiquitin-protein ligase XIAP [124-240] 77.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441823&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711029 175454140 CHEMBL2436329 ZINC96285530 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489345 CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(=O)(=O)c1ccc(N)cc1 InChI=1S/C31H33N5O4S/c1-20-12-13-22-8-4-5-9-25(22)26(20)18-35-28-10-6-7-11-29(28)36(41(39,40)24-16-14-23(32)15-17-24)19-27(31(35)38)34-30(37)21(2)33-3/h4-17,21,27,33H,18-19,32H2,1-3H3,(H,34,37)/t21-,27-/m0/s1 DWRWKRQFTZPNIE-IDISGSTGSA-N 242589 (25)-N-[(35)-1-(4-aminophenyl)sulfonyl- 5-[(2-methylnaphthalen-1-yl)methyl]-4- oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]- 2- (methylamino)propanamide;hydrochloride::US10053431, 117 E3 ubiquitin-protein ligase XIAP [124-240] 168 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242589&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531396 376221384 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489347 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCC(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C31H35BrN4O5/c1-19(37)8-7-11-29(38)35-18-25(34-30(39)20(2)33-3)31(40)36(27-10-6-5-9-26(27)35)17-24-23-14-13-22(32)16-21(23)12-15-28(24)41-4/h5-6,9-10,12-16,20,25,33H,7-8,11,17-18H2,1-4H3,(H,34,39)/t20-,25-/m0/s1 ASFSQLSTKRLNRZ-CPJSRVTESA-N 242590 (S)—N—((S)-1-((6-bromo-2-methoxynaphthalen-1-yl)methyl)-2-oxo-5-(5-oxohexanoyl)-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide hydrochloride::US10053431, 27 E3 ubiquitin-protein ligase XIAP [124-240] 33.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242590&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076976 376221385 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489349 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(c2)C(C)O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C34H36N4O4/c1-21-16-17-24-10-5-6-13-27(24)28(21)19-37-30-14-7-8-15-31(30)38(20-29(34(37)42)36-32(40)22(2)35-4)33(41)26-12-9-11-25(18-26)23(3)39/h5-18,22-23,29,35,39H,19-20H2,1-4H3,(H,36,40)/t22-,23?,29-/m0/s1 HPCMPJMRVFYGCF-PIZRKSBESA-N 242591 (2S)-N-[(3S)-1-[3-(1- hydroxyethyl)benzoyl]-5-[(2- methylnaphthalen-1-yl)methyl]-4-oxo- 2,3-dihydro-1,5-benzodiazepin-3-yl]-2- (methylamino)propanamide;hydrochloride::US10053431, 118::US10053431, 119 E3 ubiquitin-protein ligase XIAP [124-240] 51.9 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242591&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531387 376221386 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489351 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)OC)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C34H33BrN4O6/c1-20(36-2)31(40)37-27-19-39(32(41)21-9-11-22(12-10-21)34(43)45-4)29-8-6-5-7-28(29)38(33(27)42)18-26-25-15-14-24(35)17-23(25)13-16-30(26)44-3/h5-17,20,27,36H,18-19H2,1-4H3,(H,37,40)/t20-,27-/m0/s1 SXOWGVPZRLSEAF-DCFHFQCYSA-N 242592 4-[(S)-5-(6-Bromo-2-methoxy-naphthalen-1-ylmethyl)-3-((S)-2-methylamino-propionylamino)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carbonyl]-benzoic acid methyl ester hydrochloride::US10053431, 28 E3 ubiquitin-protein ligase XIAP [124-240] 39.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242592&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077071 376221387 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489353 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(c2)C(C)O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C34H36N4O4/c1-21-16-17-24-10-5-6-13-27(24)28(21)19-37-30-14-7-8-15-31(30)38(20-29(34(37)42)36-32(40)22(2)35-4)33(41)26-12-9-11-25(18-26)23(3)39/h5-18,22-23,29,35,39H,19-20H2,1-4H3,(H,36,40)/t22-,23?,29-/m0/s1 HPCMPJMRVFYGCF-PIZRKSBESA-N 242591 (2S)-N-[(3S)-1-[3-(1- hydroxyethyl)benzoyl]-5-[(2- methylnaphthalen-1-yl)methyl]-4-oxo- 2,3-dihydro-1,5-benzodiazepin-3-yl]-2- (methylamino)propanamide;hydrochloride::US10053431, 118::US10053431, 119 E3 ubiquitin-protein ligase XIAP [124-240] 57.5 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242591&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531387 376221386 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489355 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(O)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C33H31BrN4O6/c1-19(35-2)30(39)36-26-18-38(31(40)20-8-10-21(11-9-20)33(42)43)28-7-5-4-6-27(28)37(32(26)41)17-25-24-14-13-23(34)16-22(24)12-15-29(25)44-3/h4-16,19,26,35H,17-18H2,1-3H3,(H,36,39)(H,42,43)/t19-,26-/m0/s1 KICGBGWJSBMWAK-SIBVEZHUSA-N 242594 4-[(S)-5-(6-Bromo-2-methoxy-naphthalen-1-ylmethyl)-3-((S)-2-methylamino-propionylamino)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carbonyl]-benzoic acid hydrochloride::US10053431, 29 E3 ubiquitin-protein ligase XIAP [124-240] 28.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242594&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076882 376221388 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489357 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O InChI=1S/C37H33N7O4/c1-23(39-3)35(46)40-30-22-42(36(47)26-18-16-25(17-19-26)24(2)45)33-14-8-9-15-34(33)43(37(30)48)21-29-28-11-5-7-13-32(28)44(41-29)31-12-6-4-10-27(31)20-38/h4-19,23,30,39H,21-22H2,1-3H3,(H,40,46)/t23-,30-/m0/s1 IBHPLEGIMMIZAQ-JHOBJCJYSA-N 242595 (S)-N-((S)-5-(4-acetylbenzoyl)-1-((1-(2- cyanophenyl)-1H-indazol-3-yl)methyl)-2- oxo-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide 2,2,2- trifluoroacetate::US10053431, 120 E3 ubiquitin-protein ligase XIAP [124-240] 6.28 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242595&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076802 376221389 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489359 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(N)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C33H32BrN5O5/c1-19(36-2)31(41)37-26-18-39(32(42)21-10-8-20(9-11-21)30(35)40)28-7-5-4-6-27(28)38(33(26)43)17-25-24-14-13-23(34)16-22(24)12-15-29(25)44-3/h4-16,19,26,36H,17-18H2,1-3H3,(H2,35,40)(H,37,41)/t19-,26-/m0/s1 JFONEQSYAHTTGI-SIBVEZHUSA-N 242596 4-[(S)-5-(6-Bromo-2-methoxy-naphthalen-1-ylmethyl)-3-((S)-2-methylamino-propionylamino)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carbonyl]-benzamide hydrochloride::US10053431, 30 E3 ubiquitin-protein ligase XIAP [124-240] 33.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242596&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076833 376221390 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489361 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2cc(Cl)ccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C32H32ClN5O3/c1-19-8-9-21-6-4-5-7-25(21)26(19)17-37-28-15-12-23(33)16-29(28)38(31(40)22-10-13-24(34)14-11-22)18-27(32(37)41)36-30(39)20(2)35-3/h4-16,20,27,35H,17-18,34H2,1-3H3,(H,36,39)/t20-,27-/m0/s1 NYASEDZUZJHFTL-DCFHFQCYSA-N 242597 (S)-N-((S)-5-(4-aminobenzoyl)-7-chloro- 1-((2-methylnaphthalen-1-yl)methyl)-2- oxo-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide hydrochloride::US10053431, 121 E3 ubiquitin-protein ligase XIAP [124-240] 14.8 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242597&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077128 376221391 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489363 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)NCC2CCCCC2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C40H44BrN5O5/c1-25(42-2)37(47)44-33-24-46(39(49)28-15-13-27(14-16-28)38(48)43-22-26-9-5-4-6-10-26)35-12-8-7-11-34(35)45(40(33)50)23-32-31-19-18-30(41)21-29(31)17-20-36(32)51-3/h7-8,11-21,25-26,33,42H,4-6,9-10,22-24H2,1-3H3,(H,43,48)(H,44,47)/t25-,33-/m0/s1 OQSLFGBQSWACBU-JQJBXXCASA-N 242598 4-[(S)-5-(6-Bromo-2-methoxy-naphthalen-1-ylmethyl)-3-((S)-2-methylamino-propionylamino)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carbonyl]-N-cyclohexylmethyl-benzamide hydrochloride::US10053431, 31 E3 ubiquitin-protein ligase XIAP [124-240] 41.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242598&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076651 376221392 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489365 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2cc(Cl)ccc2N(Cc2c(OC)ccc3ccccc23)C1=O InChI=1S/C32H32ClN5O4/c1-19(35-2)30(39)36-26-18-38(31(40)21-8-12-23(34)13-9-21)28-16-22(33)11-14-27(28)37(32(26)41)17-25-24-7-5-4-6-20(24)10-15-29(25)42-3/h4-16,19,26,35H,17-18,34H2,1-3H3,(H,36,39)/t19-,26-/m0/s1 PYGGARGXJMZFPP-SIBVEZHUSA-N 242599 (S)-N-((S)-5-(4-aminobenzoyl)-7-chloro- 1-((2-methoxynaphthalen-1-yl)methyl)-2- oxo-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide hydrochloride::US10053431, 122 E3 ubiquitin-protein ligase XIAP [124-240] 13.2 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242599&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077160 376221393 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489367 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(O)C(F)(F)F)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C34H32BrF3N4O5/c1-19(39-2)31(44)40-26-18-42(32(45)21-10-8-20(9-11-21)30(43)34(36,37)38)28-7-5-4-6-27(28)41(33(26)46)17-25-24-14-13-23(35)16-22(24)12-15-29(25)47-3/h4-16,19,26,30,39,43H,17-18H2,1-3H3,(H,40,44)/t19-,26-,30?/m0/s1 HLVZIUNUMSNQFS-SIPNUGOWSA-N 242600 (S)—N—{(S)-1-(6-Bromo-2-methoxy-naphthalen-1-ylmethyl)-2-oxo-5-[4-(2,2,2-trifluoro-1-hydroxy-ethyl)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl}-2-methylamino-propionamide hydrochloride, mixture of diastereomers::US10053431, 32 E3 ubiquitin-protein ligase XIAP [124-240] 25.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242600&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077232 376221394 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489369 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2cc(Cl)ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C32H31BrClN5O4/c1-18(36-2)30(40)37-26-17-39(31(41)19-7-10-21(35)11-8-19)28-15-20(34)9-13-27(28)38(32(26)42)16-24-22-5-4-6-25(33)23(22)12-14-29(24)43-3/h4-15,18,26,36H,16-17,35H2,1-3H3,(H,37,40)/t18-,26-/m0/s1 ZPWXNJPAHZEINN-QYBDOPJKSA-N 242601 (S)-N-((S)-5-(4-aminobenzoyl)-1-((5- bromo-2-methoxynaphthalen-1- yl)methyl)-7-chloro-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 123 E3 ubiquitin-protein ligase XIAP [124-240] 6.71 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242601&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076744 376221395 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489371 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C34H35BrN4O5/c1-20(36-3)32(41)37-28-19-39(33(42)23-11-9-22(10-12-23)21(2)40)30-8-6-5-7-29(30)38(34(28)43)18-27-26-15-14-25(35)17-24(26)13-16-31(27)44-4/h5-17,20-21,28,36,40H,18-19H2,1-4H3,(H,37,41)/t20-,21?,28-/m0/s1 LNZZPMFSHPPZAH-ZWCJHOFGSA-N 241607 (2S)-N-((3S)-1-((6-bromo-2- methoxynaphthalen-1-yl)methyl)-5-(4-(1- hydroxyethyl)benzoyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide::BDBM242602::US10053431, 103::US10053431, 104 E3 ubiquitin-protein ligase XIAP [124-240] 18.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=241607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=241607&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076904 376221357 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489373 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2cc(Cl)ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C32H31BrClN5O4/c1-18(36-2)30(40)37-26-17-39(31(41)19-4-9-23(35)10-5-19)28-15-22(34)8-12-27(28)38(32(26)42)16-25-24-11-7-21(33)14-20(24)6-13-29(25)43-3/h4-15,18,26,36H,16-17,35H2,1-3H3,(H,37,40)/t18-,26-/m0/s1 AIUSSHJTBFDDBV-QYBDOPJKSA-N 242603 (S)-N-((S)-5-(4-aminobenzoyl)-1-((6- bromo-2-methoxynaphthalen-1- yl)methyl)-7-chloro-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 124 E3 ubiquitin-protein ligase XIAP [124-240] 5.68 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242603&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076808 376221397 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489375 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C36H41BrN4O4/c1-21(38-2)33(42)39-29-20-41(35(44)36-16-22-12-23(17-36)14-24(13-22)18-36)31-7-5-4-6-30(31)40(34(29)43)19-28-27-10-9-26(37)15-25(27)8-11-32(28)45-3/h4-11,15,21-24,29,38H,12-14,16-20H2,1-3H3,(H,39,42)/t21-,22?,23?,24?,29-,36?/m0/s1 ZYJSAXCVKITGMK-USPVGKNKSA-N 242604 (S)—N—[(S)-5-(Adamantane-1-carbonyl)-1-(6-bromo-2-methoxy-naphthalen-1-ylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-2-methylamino-propionamide hydrochloride::US10053431, 34 E3 ubiquitin-protein ligase XIAP [124-240] 33.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242604&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076695 376221398 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489377 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2cc(Cl)ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C34H32BrClN4O5/c1-19(37-3)32(42)38-28-18-40(33(43)22-10-8-21(9-11-22)20(2)41)30-16-23(36)12-14-29(30)39(34(28)44)17-26-24-6-5-7-27(35)25(24)13-15-31(26)45-4/h5-16,19,28,37H,17-18H2,1-4H3,(H,38,42)/t19-,28-/m0/s1 DUHMRKGHRWGINZ-VKGTZQKMSA-N 242605 (S)-N-((S)-5-(4-acetylbenzoyl)-1-((5- bromo-2-methoxynaphthalen-1- yl)methyl)-7-chloro-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 125 E3 ubiquitin-protein ligase XIAP [124-240] 7.92 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242605&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077113 376221399 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489379 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C32H32BrN5O4/c1-19(35-2)30(39)36-26-18-38(31(40)20-8-12-23(34)13-9-20)28-7-5-4-6-27(28)37(32(26)41)17-25-24-14-11-22(33)16-21(24)10-15-29(25)42-3/h4-16,19,26,35H,17-18,34H2,1-3H3,(H,36,39)/t19-,26-/m0/s1 BSUCDFNUQCWZFS-SIBVEZHUSA-N 242606 (S)—N—((S)-5-(4-aminobenzoyl)-1-((6-bromo-2-methoxynaphthalen-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide dihydrochloride::US10053431, 35 E3 ubiquitin-protein ligase XIAP [124-240] 6.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242606&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076969 376221400 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489381 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2cc(Cl)ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C32H29BrClFN4O4/c1-18(36-2)30(40)37-26-17-39(31(41)19-7-10-21(35)11-8-19)28-15-20(34)9-13-27(28)38(32(26)42)16-24-22-5-4-6-25(33)23(22)12-14-29(24)43-3/h4-15,18,26,36H,16-17H2,1-3H3,(H,37,40)/t18-,26-/m0/s1 ASXCUXYHAICPGC-QYBDOPJKSA-N 242607 (S)-N-((S)-1-((5-bromo-2- methoxynaphthalen-1-yl)methyl)-7- chloro-5-(4-fluorobenzoyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 126 E3 ubiquitin-protein ligase XIAP [124-240] 17.2 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242607&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076835 376221401 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489383 COc1ccc2cc(Br)ccc2c1CN1c2ccccc2N(C[C@H](NC(=O)[C@@H]2CCN2)C1=O)C(=O)c1ccc(cc1)C(C)=O InChI=1S/C34H31BrN4O5/c1-20(40)21-7-9-22(10-8-21)33(42)39-19-28(37-32(41)27-15-16-36-27)34(43)38(29-5-3-4-6-30(29)39)18-26-25-13-12-24(35)17-23(25)11-14-31(26)44-2/h3-14,17,27-28,36H,15-16,18-19H2,1-2H3,(H,37,41)/t27-,28-/m0/s1 FYPLXCGGIXAPHV-NSOVKSMOSA-N 242608 (S)—N—((S)-5-(4-acetylbenzoyl)-1-((6-bromo-2-methoxynaphthalen-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)azetidine-2-carboxamide hydrochloride::US10053431, 36 E3 ubiquitin-protein ligase XIAP [124-240] 5000 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242608&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077434 376221402 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489385 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2cc(Cl)ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C33H29BrClN5O4/c1-19(37-2)31(41)38-27-18-40(32(42)21-9-7-20(16-36)8-10-21)29-15-22(35)11-13-28(29)39(33(27)43)17-25-23-5-4-6-26(34)24(23)12-14-30(25)44-3/h4-15,19,27,37H,17-18H2,1-3H3,(H,38,41)/t19-,27-/m0/s1 FXUKLVOPWTYLHG-PPHZAIPVSA-N 242609 (S)-N-((S)-1-((5-bromo-2- methoxynaphthalen-1-yl)methyl)-7- chloro-5-(4-cyanobenzoyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 127 E3 ubiquitin-protein ligase XIAP [124-240] 9.22 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242609&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077364 376221403 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489387 CN[C@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C34H33BrN4O5/c1-20(36-3)32(41)37-28-19-39(33(42)23-11-9-22(10-12-23)21(2)40)30-8-6-5-7-29(30)38(34(28)43)18-27-26-15-14-25(35)17-24(26)13-16-31(27)44-4/h5-17,20,28,36H,18-19H2,1-4H3,(H,37,41)/t20-,28+/m1/s1 VBKYKJZFJATBDB-NGOKVRLYSA-N 242610 (R)—N—((S)-5-(4-acetylbenzoyl)-1-((6-bromo-2-methoxynaphthalen-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide hydrochloride::US10053431, 37 E3 ubiquitin-protein ligase XIAP [124-240] 271 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242610&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076991 376221404 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489389 CN[C@@H](C)C(=O)NC1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2N(c2ccccc2)C1=O InChI=1S/C31H29BrN4O4/c1-19(33-2)29(37)34-28-30(38)35(18-24-23-15-14-21(32)17-20(23)13-16-27(24)40-3)25-11-7-8-12-26(25)36(31(28)39)22-9-5-4-6-10-22/h4-17,19,28,33H,18H2,1-3H3,(H,34,37)/t19-,28?/m0/s1 YVTYAMQGTKOVBC-ZAFBDEJNSA-N 242611 (2S)-N-(1-((6-bromo-2- methoxynaphthalen-1-yl)methyl)-2,4- dioxo-5-phenyl-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide::US10053431, 128 E3 ubiquitin-protein ligase XIAP [124-240] 4.99 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242611&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 91758773 376221405 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489391 COc1ccc2cc(Br)ccc2c1CN1c2ccccc2N(C[C@H](NC(=O)[C@H](C)N(C)C)C1=O)C(=O)c1ccc(cc1)C(C)=O InChI=1S/C35H35BrN4O5/c1-21(38(3)4)33(42)37-29-20-40(34(43)24-12-10-23(11-13-24)22(2)41)31-9-7-6-8-30(31)39(35(29)44)19-28-27-16-15-26(36)18-25(27)14-17-32(28)45-5/h6-18,21,29H,19-20H2,1-5H3,(H,37,42)/t21-,29-/m0/s1 HMSRUTJNXZGPKD-LGGPFLRQSA-N 242612 (S)—N—((S)-5-(4-acetylbenzoyl)-1-((6-bromo-2-methoxynaphthalen-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(dimethylamino)propanamide::US10053431, 38 E3 ubiquitin-protein ligase XIAP [124-240] 1073 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242612&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076730 376221406 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489393 CN[C@@H](C)C(=O)NC1C(=O)N(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2N(c2ccccc2)C1=O InChI=1S/C31H29BrN4O4/c1-19(33-2)29(37)34-28-30(38)35(18-23-21-12-9-13-24(32)22(21)16-17-27(23)40-3)25-14-7-8-15-26(25)36(31(28)39)20-10-5-4-6-11-20/h4-17,19,28,33H,18H2,1-3H3,(H,34,37)/t19-,28?/m0/s1 DEKPQKVLGOFSJI-ZAFBDEJNSA-N 242613 (2S)-N-(1-((5-bromo-2- methoxynaphthalen-1-yl)methyl)-2,4- dioxo-5-phenyl-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide::US10053431, 129 E3 ubiquitin-protein ligase XIAP [124-240] 9.68 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242613&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531397 376221407 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489395 COc1ccc2cc(Br)ccc2c1CN1c2ccccc2N(C[C@H](NC(=O)[C@H](C)N)C1=O)C(=O)c1ccc(cc1)C(C)=O InChI=1S/C33H31BrN4O5/c1-19(35)31(40)36-27-18-38(32(41)22-10-8-21(9-11-22)20(2)39)29-7-5-4-6-28(29)37(33(27)42)17-26-25-14-13-24(34)16-23(25)12-15-30(26)43-3/h4-16,19,27H,17-18,35H2,1-3H3,(H,36,40)/t19-,27-/m0/s1 PSNQIUPKZKGASK-PPHZAIPVSA-N 242614 (S)—N—((S)-5-(4-acetylbenzoyl)-1-((6-bromo-2-methoxynaphthalen-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-aminopropanamide hydrochloride::US10053431, 39 E3 ubiquitin-protein ligase XIAP [124-240] 19.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242614&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076637 376221408 C03803 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489397 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2cc(Cl)ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C32H29BrClFN4O4/c1-18(36-2)30(40)37-26-17-39(31(41)19-4-9-23(35)10-5-19)28-15-22(34)8-12-27(28)38(32(26)42)16-25-24-11-7-21(33)14-20(24)6-13-29(25)43-3/h4-15,18,26,36H,16-17H2,1-3H3,(H,37,40)/t18-,26-/m0/s1 FDPZDJGLHIXCAI-QYBDOPJKSA-N 242615 (S)-N-((S)-1-((6-bromo-2- methoxynaphthalen-1-yl)methyl)-7- chloro-5-(4-fluorobenzoyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 130 E3 ubiquitin-protein ligase XIAP [124-240] 35.6 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242615&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076793 376221409 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489399 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(CCc2cccc3ccccc23)C1=O InChI=1S/C34H34N4O4/c1-22(35-3)32(40)36-29-21-38(33(41)27-17-15-24(16-18-27)23(2)39)31-14-7-6-13-30(31)37(34(29)42)20-19-26-11-8-10-25-9-4-5-12-28(25)26/h4-18,22,29,35H,19-21H2,1-3H3,(H,36,40)/t22-,29-/m0/s1 NVXMSTOAPJLPRH-ZTOMLWHTSA-N 242616 (S)—N—((S)-5-(4-acetylbenzoyl)-1-(2-(naphthalen-1-yl)ethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide::US10053431, 40 E3 ubiquitin-protein ligase XIAP [124-240] 173 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242616&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118086253 376221410 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489401 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2cc(Cl)ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C33H29BrClN5O4/c1-19(37-2)31(41)38-27-18-40(32(42)21-6-4-20(16-36)5-7-21)29-15-24(35)10-12-28(29)39(33(27)43)17-26-25-11-9-23(34)14-22(25)8-13-30(26)44-3/h4-15,19,27,37H,17-18H2,1-3H3,(H,38,41)/t19-,27-/m0/s1 ATANOOYHOJRMCH-PPHZAIPVSA-N 242617 (S)-N-((S)-1-((6-bromo-2- methoxynaphthalen-1-yl)methyl)-7- chloro-5-(4-cyanobenzoyl)-2-oxo-2,3 tetrahydro-1H-benzo[b][1,4]diazepin- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 131 E3 ubiquitin-protein ligase XIAP [124-240] 11.2 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242617&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077330 376221411 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489403 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O InChI=1S/C32H33N5O4/c1-20(34-2)30(38)35-26-19-37(31(39)22-12-15-23(33)16-13-22)28-11-7-6-10-27(28)36(32(26)40)18-25-24-9-5-4-8-21(24)14-17-29(25)41-3/h4-17,20,26,34H,18-19,33H2,1-3H3,(H,35,38)/t20-,26-/m0/s1 BXNIMYHZUMCTGM-FNZWTVRRSA-N 50441816 CHEMBL2436208::US10053431, 41 E3 ubiquitin-protein ligase XIAP [124-240] 6.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441816&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1RH 4KJU 71819719 175454133 CHEMBL2436208 ZINC96285524 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489405 CCN[C@@H](CC)C(=O)NC1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2N(c2ccccc2)C1=O InChI=1S/C33H33BrN4O4/c1-4-26(35-5-2)31(39)36-30-32(40)37(20-25-24-17-16-22(34)19-21(24)15-18-29(25)42-3)27-13-9-10-14-28(27)38(33(30)41)23-11-7-6-8-12-23/h6-19,26,30,35H,4-5,20H2,1-3H3,(H,36,39)/t26-,30?/m0/s1 HWIHWDMCQSBKGA-PKMDPOOCSA-N 242619 (2S)-N-(1-((6-bromo-2- methoxynaphthalen-1-yl)methyl)-2,4- dioxo-5-phenyl-2,3,4,5-tetrahydro-1H- benzo[b][l,4]diazepin-3-yl)-2- (ethylamino)butanamide::US10053431, 132 E3 ubiquitin-protein ligase XIAP [124-240] 37.9 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242619&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531385 376221413 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489407 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O InChI=1S/C34H35N5O5/c1-21(35-3)32(41)37-28-20-39(33(42)24-13-16-25(17-14-24)36-22(2)40)30-12-8-7-11-29(30)38(34(28)43)19-27-26-10-6-5-9-23(26)15-18-31(27)44-4/h5-18,21,28,35H,19-20H2,1-4H3,(H,36,40)(H,37,41)/t21-,28-/m0/s1 ZZMWAGXEJSTILS-KMRXNPHXSA-N 242620 (S)—N—[(S)-5-(4-Acetylamino-benzoyl)-1-(2-methoxy-naphthalen-1-ylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-2-methylamino-propionamide hydrochloride::US10053431, 42 E3 ubiquitin-protein ligase XIAP [124-240] 37.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242620&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077080 376221414 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489409 CC[C@H](N)C(=O)NC1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2N(c2ccccc2)C1=O InChI=1S/C31H29BrN4O4/c1-3-24(33)29(37)34-28-30(38)35(18-23-22-15-14-20(32)17-19(22)13-16-27(23)40-2)25-11-7-8-12-26(25)36(31(28)39)21-9-5-4-6-10-21/h4-17,24,28H,3,18,33H2,1-2H3,(H,34,37)/t24-,28?/m0/s1 YXJMOPISMTUTLI-ZZDYIDRTSA-N 242621 (2S)-2-amino-N-(1-((6-bromo-2- methoxynaphthalen-1-yl)methyl)-2,4- dioxo-5-phenyl-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)butanamide::US10053431, 133 E3 ubiquitin-protein ligase XIAP [124-240] 27.1 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242621&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076821 376221415 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489411 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)OC)C1=O InChI=1S/C36H36N4O7/c1-21(37-3)33(42)38-29-20-40(34(43)24-12-10-23(11-13-24)22(2)41)31-9-7-6-8-30(31)39(35(29)44)19-28-27-16-14-26(36(45)47-5)18-25(27)15-17-32(28)46-4/h6-18,21,29,37H,19-20H2,1-5H3,(H,38,42)/t21-,29-/m0/s1 NCWHDTFFARAZAY-LGGPFLRQSA-N 242622 5-[(S)-5-(4-Acetyl-benzoyl)-3-((S)-2-methylamino-propionylamino)-2-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]-6-methoxy-naphthalen-2-carboxylic acid methyl ester hydrochloride::US10053431, 43 E3 ubiquitin-protein ligase XIAP [124-240] 57.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242622&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077397 376221416 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489413 CCN[C@@H](CC)C(=O)NC1C(=O)N(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2N(c2ccccc2)C1=O InChI=1S/C33H33BrN4O4/c1-4-26(35-5-2)31(39)36-30-32(40)37(20-24-22-14-11-15-25(34)23(22)18-19-29(24)42-3)27-16-9-10-17-28(27)38(33(30)41)21-12-7-6-8-13-21/h6-19,26,30,35H,4-5,20H2,1-3H3,(H,36,39)/t26-,30?/m0/s1 MIIIBECDVPUFSN-PKMDPOOCSA-N 242623 (2S)-N-(1-((5-bromo-2- methoxynaphthalen-1-yl)methyl)-2,4- dioxo-5-phenyl-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (ethylamino)butanamide::US10053431, 134 E3 ubiquitin-protein ligase XIAP [124-240] 32.5 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242623&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531487 376221417 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489415 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)C1=O InChI=1S/C35H34N4O7/c1-20(36-3)32(41)37-28-19-39(33(42)23-11-9-22(10-12-23)21(2)40)30-8-6-5-7-29(30)38(34(28)43)18-27-26-15-13-25(35(44)45)17-24(26)14-16-31(27)46-4/h5-17,20,28,36H,18-19H2,1-4H3,(H,37,41)(H,44,45)/t20-,28-/m0/s1 FVTPBOSWDFCXGN-MMTVBGGISA-N 242624 5-[[(3S)-1-(4-acetylbenzoyl)-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]methyl]-6-methoxy-naphthalene-2-carboxylic acid; hydrochloride::US10053431, 44 E3 ubiquitin-protein ligase XIAP [124-240] 16.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242624&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077153 376221418 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489417 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2cc(Cl)ccc2N(Cc2c(OCC(F)(F)F)ccc3cc(Br)ccc23)C1=O InChI=1S/C34H28BrClF3N5O4/c1-19(41-2)31(45)42-27-17-44(32(46)21-5-3-20(15-40)4-6-21)29-14-24(36)9-11-28(29)43(33(27)47)16-26-25-10-8-23(35)13-22(25)7-12-30(26)48-18-34(37,38)39/h3-14,19,27,41H,16-18H2,1-2H3,(H,42,45)/t19-,27-/m0/s1 DOUYUMOASBGOAP-PPHZAIPVSA-N 242625 (S)-N-((S)-1-((6-bromo-2-(2,2,2- trifluoroethoxy)naphthalen-1-yl)methyl)- 7-chloro-5-(4-cyanobenzoyl)-2-oxo- 2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide hydrochloride::US10053431, 135 E3 ubiquitin-protein ligase XIAP [124-240] 32.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242625&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076708 376221419 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489419 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)NO)C1=O InChI=1S/C35H35N5O7/c1-20(36-3)32(42)37-28-19-40(34(44)23-11-9-22(10-12-23)21(2)41)30-8-6-5-7-29(30)39(35(28)45)18-27-26-15-13-25(33(43)38-46)17-24(26)14-16-31(27)47-4/h5-17,20,28,36,46H,18-19H2,1-4H3,(H,37,42)(H,38,43)/t20-,28-/m0/s1 XAHVSYGGAZYANK-MMTVBGGISA-N 242626 5-(((S)-5-(4-acetylbenzoyl)-3-((S)-2-(methylamino)propanamido)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-1-yl)methyl)-N-hydroxy-6-methoxy-2-naphthamide 2,2,2-trifluoroacetate::US10053431, 45 E3 ubiquitin-protein ligase XIAP [124-240] 16.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242626&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118086579 376221420 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489421 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2cc(Cl)ccc2N(Cc2c(OCC(F)(F)F)ccc3cc(Br)ccc23)C1=O InChI=1S/C33H28BrClF4N4O4/c1-18(40-2)30(44)41-26-16-43(31(45)19-3-8-23(36)9-4-19)28-14-22(35)7-11-27(28)42(32(26)46)15-25-24-10-6-21(34)13-20(24)5-12-29(25)47-17-33(37,38)39/h3-14,18,26,40H,15-17H2,1-2H3,(H,41,44)/t18-,26-/m0/s1 OWKXLFXHVOCRPK-QYBDOPJKSA-N 242627 (S)-N-((S)-1-((6-bromo-2-(2,2,2- trifluoroethoxy)naphthalen-1-yl)methyl)- 7-chloro-5-(4-fluorobenzoyl)-2-oxo- 2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide hydrochloride::US10053431, 136 E3 ubiquitin-protein ligase XIAP [124-240] 186 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242627&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531379 376221421 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489423 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCC(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)OC)C1=O InChI=1S/C33H38N4O7/c1-20(38)9-8-12-30(39)36-19-26(35-31(40)21(2)34-3)32(41)37(28-11-7-6-10-27(28)36)18-25-24-15-13-23(33(42)44-5)17-22(24)14-16-29(25)43-4/h6-7,10-11,13-17,21,26,34H,8-9,12,18-19H2,1-5H3,(H,35,40)/t21-,26-/m0/s1 KEAUHXQFUGWZRT-LVXARBLLSA-N 242628 6-Methoxy-5-[(S)-3 ((S)-2-methylamino-propionylamino)-2-oxo-5-(5-oxo-hexanoyl)-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]-naphthalene-2-carboxylic acid methyl ester hydrochloride::US10053431, 46 E3 ubiquitin-protein ligase XIAP [124-240] 62.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242628&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077201 376221422 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489425 CC[C@H](N)C(=O)NC1C(=O)N(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2N(c2ccccc2)C1=O InChI=1S/C31H29BrN4O4/c1-3-24(33)29(37)34-28-30(38)35(18-22-20-12-9-13-23(32)21(20)16-17-27(22)40-2)25-14-7-8-15-26(25)36(31(28)39)19-10-5-4-6-11-19/h4-17,24,28H,3,18,33H2,1-2H3,(H,34,37)/t24-,28?/m0/s1 FDGYZDRJWNTPHP-ZZDYIDRTSA-N 242629 (2S)-2-amino-N-(1-((5-bromo-2- methoxynaphthalen-1-yl)methyl)-2,4- dioxo-5-phenyl-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)butanamide::US10053431, 137 E3 ubiquitin-protein ligase XIAP [124-240] 29.8 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242629&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076741 376221423 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489427 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCC(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)C1=O InChI=1S/C32H36N4O7/c1-19(37)8-7-11-29(38)35-18-25(34-30(39)20(2)33-3)31(40)36(27-10-6-5-9-26(27)35)17-24-23-14-12-22(32(41)42)16-21(23)13-15-28(24)43-4/h5-6,9-10,12-16,20,25,33H,7-8,11,17-18H2,1-4H3,(H,34,39)(H,41,42)/t20-,25-/m0/s1 FXMDDPAOFCIITP-CPJSRVTESA-N 242630 6-Methoxy-5-[(S)-3 ((S)-2-methylamino-propionylamino)-2-oxo-5-(5-oxo-hexanoyl)-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]-naphthalene-2-carboxylic acid hydrochloride::US10053431, 47 E3 ubiquitin-protein ligase XIAP [124-240] 20.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242630&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077206 376221424 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489429 CC[C@H](NCCO)C(=O)NC1C(=O)N(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2N(c2ccccc2)C1=O InChI=1S/C33H33BrN4O5/c1-3-26(35-18-19-39)31(40)36-30-32(41)37(20-24-22-12-9-13-25(34)23(22)16-17-29(24)43-2)27-14-7-8-15-28(27)38(33(30)42)21-10-5-4-6-11-21/h4-17,26,30,35,39H,3,18-20H2,1-2H3,(H,36,40)/t26-,30?/m0/s1 CJJFBBNABFDOPN-PKMDPOOCSA-N 242631 (2S)-N-(1-((5-bromo-2- methoxynaphthalen-1-yl)methyl)-2,4- dioxo-5-phenyl-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2-(2- hydroxyethylamino)butanamide::US10053431, 138 E3 ubiquitin-protein ligase XIAP [124-240] 69.4 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242631&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531372 376221425 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489431 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)OC)C1=O InChI=1S/C46H47N5O8/c1-28(47-2)43(53)49-38-26-50(42(52)18-11-23-48-46(56)59-27-37-34-14-7-5-12-32(34)33-13-6-8-15-35(33)37)39-16-9-10-17-40(39)51(44(38)54)25-36-31-21-19-30(45(55)58-4)24-29(31)20-22-41(36)57-3/h5-10,12-17,19-22,24,28,37-38,47H,11,18,23,25-27H2,1-4H3,(H,48,56)(H,49,53)/t28-,38-/m0/s1 QIROBYRCQIRCNB-SNFDCCKOSA-N 242632 5-[(S)-5-[4-(9H-Fluoren-9-ylmethoxycarbonylamino)-butyryl]-3-((S)-2-methylamino-propionylamino)-2-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]-6-methoxy-naphthalene-2-carboxylic acid methyl ester hydrochloride::US10053431, 48 E3 ubiquitin-protein ligase XIAP [124-240] 23.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242632&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077286 376221426 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489433 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2cc(Cl)ccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O InChI=1S/C33H28ClF2N5O4/c1-19(38-2)30(42)39-26-18-41(31(43)22-9-7-20(16-37)8-10-22)28-15-23(34)12-13-27(28)40(32(26)44)17-25-24-6-4-3-5-21(24)11-14-29(25)45-33(35)36/h3-15,19,26,33,38H,17-18H2,1-2H3,(H,39,42)/t19-,26-/m0/s1 SXXGANNPODJWEW-SIBVEZHUSA-N 242633 (S)-N-((S)-7-chloro-5-(4-cyanobenzoyl)- 1-((2-(difluoromethoxy)naphthalen-1- yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide hydrochloride::US10053431, 139 E3 ubiquitin-protein ligase XIAP [124-240] 34.7 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242633&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076609 376221427 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489435 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCN)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)OC)C1=O InChI=1S/C31H37N5O6/c1-19(33-2)29(38)34-24-18-35(28(37)10-7-15-32)25-8-5-6-9-26(25)36(30(24)39)17-23-22-13-11-21(31(40)42-4)16-20(22)12-14-27(23)41-3/h5-6,8-9,11-14,16,19,24,33H,7,10,15,17-18,32H2,1-4H3,(H,34,38)/t19-,24-/m0/s1 OOCGOLCPNAMEDL-CYFREDJKSA-N 242634 5-[(S)-5-(4-Amino-butyryl)-3-((S)-2-methylamino-propionylamino)-2-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]-6-methoxy-naphthalene-2-carboxylic acid methyl ester hydrochloride::US10053431, 49 E3 ubiquitin-protein ligase XIAP [124-240] 127 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242634&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076919 376221428 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489437 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2cc(Cl)ccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O InChI=1S/C32H28ClF3N4O4/c1-18(37-2)29(41)38-25-17-40(30(42)20-7-11-22(34)12-8-20)27-15-21(33)10-13-26(27)39(31(25)43)16-24-23-6-4-3-5-19(23)9-14-28(24)44-32(35)36/h3-15,18,25,32,37H,16-17H2,1-2H3,(H,38,41)/t18-,25-/m0/s1 PYMRZTOFARKIFX-BVZFJXPGSA-N 242635 (S)-N-((S)-7-chloro-1-((2- (difluoromethoxy)naphthalen-1- yl)methyl)-5-(4-fluorobenzoyl)-2-oxo- 2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide hydrochloride::US10053431, 140 E3 ubiquitin-protein ligase XIAP [124-240] 49.7 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242635&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076831 376221429 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489439 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCN)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)C1=O InChI=1S/C30H35N5O6/c1-18(32-2)28(37)33-23-17-34(27(36)9-6-14-31)24-7-4-5-8-25(24)35(29(23)38)16-22-21-12-10-20(30(39)40)15-19(21)11-13-26(22)41-3/h4-5,7-8,10-13,15,18,23,32H,6,9,14,16-17,31H2,1-3H3,(H,33,37)(H,39,40)/t18-,23-/m0/s1 CDLJEUGALIIVIE-MBSDFSHPSA-N 242636 5-(((S)-5-(4-aminobutanoyl)-3-((S)-2-(methylamino)propanamido)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-1-yl)methyl)-6-methoxy-2-naphthoic acid hydrochloride::US10053431, 50 E3 ubiquitin-protein ligase XIAP [124-240] 13.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242636&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077102 376221430 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489441 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc3[nH]ncc3c2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O 242637 (25)-N-[(3S)-1-(1H-indazole-5-carbonyl)- 5-[(2-methylnaphthalen-1-yl)methyl]-4- oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]- 2-(methylamino)propanamide::US10053431, 141 E3 ubiquitin-protein ligase XIAP [124-240] 39.3 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242637&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531430 376221431 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489443 CN[C@@H](C)C(=O)N[C@H]1CN2c3ccccc3N(Cc3c(OC)ccc4cc(ccc34)C(=O)NCCCC2=O)C1=O InChI=1S/C30H33N5O5/c1-18(31-2)28(37)33-23-17-34-24-7-4-5-8-25(24)35(30(23)39)16-22-21-12-10-20(15-19(21)11-13-26(22)40-3)29(38)32-14-6-9-27(34)36/h4-5,7-8,10-13,15,18,23,31H,6,9,14,16-17H2,1-3H3,(H,32,38)(H,33,37)/t18-,23-/m0/s1 CAPNFUSCYNKMBU-MBSDFSHPSA-N 242638 Cyclic-5-[(S)-5-(4-Amino-butyryl)-3-((S)-2-methylamino-propionylamino)-2-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]-6-methoxy-naphthalene-2-carboxylic amide hydrochloride::US10053431, 51 E3 ubiquitin-protein ligase XIAP [124-240] 58.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242638&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122552253 376221432 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489445 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2cc(ccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O)C#N InChI=1S/C34H28F2N6O4/c1-20(39-2)31(43)40-27-19-42(32(44)24-10-7-21(16-37)8-11-24)29-15-22(17-38)9-13-28(29)41(33(27)45)18-26-25-6-4-3-5-23(25)12-14-30(26)46-34(35)36/h3-15,20,27,34,39H,18-19H2,1-2H3,(H,40,43)/t20-,27-/m0/s1 NUQCTFCSNHXABS-DCFHFQCYSA-N 242639 (S)-N-((S)-7-cyano-5-(4-cyanobenzoyl)- 1-((2-(difluoromethoxy)naphthalen-1- yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide hydrochloride::US10053431, 142 E3 ubiquitin-protein ligase XIAP [124-240] 32.4 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242639&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077274 376221433 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489447 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCN)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)OC)C1=O InChI=1S/C32H39N5O6/c1-20(34-2)30(39)35-25-19-36(29(38)11-7-8-16-33)26-9-5-6-10-27(26)37(31(25)40)18-24-23-14-12-22(32(41)43-4)17-21(23)13-15-28(24)42-3/h5-6,9-10,12-15,17,20,25,34H,7-8,11,16,18-19,33H2,1-4H3,(H,35,39)/t20-,25-/m0/s1 ITLOVOGSDIIYGZ-CPJSRVTESA-N 242640 5-[(S)-5-(5-amino-pentanoyl)-3-((S)-2-methylamino-propionylamino)-2-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]-6-methoxy-naphthalene-2-carboxylic acid methyl ester hydrochloride::US10053431, 52 E3 ubiquitin-protein ligase XIAP [124-240] 47.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242640&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077294 376221434 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489449 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2cc(ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N InChI=1S/C34H29BrN6O4/c1-20(38-2)32(42)39-28-19-41(33(43)23-10-7-21(16-36)8-11-23)30-15-22(17-37)9-13-29(30)40(34(28)44)18-26-24-5-4-6-27(35)25(24)12-14-31(26)45-3/h4-15,20,28,38H,18-19H2,1-3H3,(H,39,42)/t20-,28-/m0/s1 ZFAYVSVZTBMEQS-MMTVBGGISA-N 242641 (S)-N-((S)-1-((5-bromo-2- methoxynaphthalen-1-yl)methyl)-7- cyano-5-(4-cyanobenzoyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 143 E3 ubiquitin-protein ligase XIAP [124-240] 5.11 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242641&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076866 376221435 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489451 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCN)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)C1=O InChI=1S/C31H37N5O6/c1-19(33-2)29(38)34-24-18-35(28(37)10-6-7-15-32)25-8-4-5-9-26(25)36(30(24)39)17-23-22-13-11-21(31(40)41)16-20(22)12-14-27(23)42-3/h4-5,8-9,11-14,16,19,24,33H,6-7,10,15,17-18,32H2,1-3H3,(H,34,38)(H,40,41)/t19-,24-/m0/s1 ZEQVZXSLPYMCCP-CYFREDJKSA-N 242642 5-(((S)-5-(5-aminopentanoyl)-3-((S)-2-(methylamino)propanamido)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-1-yl)methyl)-6-methoxy-2-naphthoic acid hydrochloride::US10053431, 53 E3 ubiquitin-protein ligase XIAP [124-240] 7.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242642&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077408 376221436 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489453 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2cc(ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O)C#N InChI=1S/C34H29BrN6O4/c1-20(38-2)32(42)39-28-19-41(33(43)23-7-4-21(16-36)5-8-23)30-14-22(17-37)6-12-29(30)40(34(28)44)18-27-26-11-10-25(35)15-24(26)9-13-31(27)45-3/h4-15,20,28,38H,18-19H2,1-3H3,(H,39,42)/t20-,28-/m0/s1 AZHWCQYLXCWUJT-MMTVBGGISA-N 242643 (S)-N-((S)-1-((6-bromo-2- methoxynaphthalen-1-yl)methyl)-7- cyano-5-(4-cyanobenzoyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 144 E3 ubiquitin-protein ligase XIAP [124-240] 6.15 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242643&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077138 376221437 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489455 CN[C@@H](C)C(=O)N[C@H]1CN2c3ccccc3N(Cc3c(OC)ccc4cc(ccc34)C(=O)NCCCCC2=O)C1=O InChI=1S/C31H35N5O5/c1-19(32-2)29(38)34-24-18-35-25-8-4-5-9-26(25)36(31(24)40)17-23-22-13-11-21(16-20(22)12-14-27(23)41-3)30(39)33-15-7-6-10-28(35)37/h4-5,8-9,11-14,16,19,24,32H,6-7,10,15,17-18H2,1-3H3,(H,33,39)(H,34,38)/t19-,24-/m0/s1 HJCKKFKEKMJCJL-CYFREDJKSA-N 242644 Cyclic-5-[(S)-5-(5-amino-pentanoyl)-3-((S)-2-methylamino-propionylamino)-2-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]-6-methoxy-naphthalene-2-carboxylic amide hydrochloride::US10053431, 54 E3 ubiquitin-protein ligase XIAP [124-240] 18.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242644&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118086440 376221438 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489457 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc3[nH]ccc3c2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O 242645 (25)-N-[(3S)-1-(1H-indole-5-carbonyl)-5- [(2-methylnaphthalen-1-yl)methyl]-4-oxo- 2,3-dihydro-1,5-benzodiazepin-3-yl]-2- (melhylamino)propanamide::US10053431, 145 E3 ubiquitin-protein ligase XIAP [124-240] 26.5 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242645&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531550 376221439 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489459 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(NC(=O)OCC3c4ccccc4-c4ccccc34)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)OC)C1=O InChI=1S/C49H45N5O8/c1-29(50-2)45(55)52-41-27-54(43-16-10-9-15-42(43)53(47(41)57)26-39-34-23-19-32(48(58)61-4)25-31(34)20-24-44(39)60-3)46(56)30-17-21-33(22-18-30)51-49(59)62-28-40-37-13-7-5-11-35(37)36-12-6-8-14-38(36)40/h5-25,29,40-41,50H,26-28H2,1-4H3,(H,51,59)(H,52,55)/t29-,41-/m0/s1 GSYFZEKZPQSPGM-GJPBYDNQSA-N 242646 5-[(S)-5-[4-(9H-Fluoren-9-ylmethoxycarbonylamino)-benzoyl]-3-((S)-2-methylamino-propionylamino)-2-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]-6-methoxy-naphthalene-2-carboxylic acid methyl ester hydrochloride::US10053431, 55 E3 ubiquitin-protein ligase XIAP [124-240] 22.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242646&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077349 376221440 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489461 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc3[nH]ccc23)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O 242647 (2S)-N-[(3S)-1-(1H-indole-4-carbonyl)-5- [(2-methylnaphthalen-1-yl)methyl]-4-oxo- 2,3-dihydro-1,5-benzodiazepin-3-yl]-2- (methylamino)propanamide::US10053431, 146 E3 ubiquitin-protein ligase XIAP [124-240] 16.7 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242647&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531464 376221441 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489463 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)OC)C1=O InChI=1S/C34H35N5O6/c1-20(36-2)31(40)37-27-19-39(32(41)21-9-13-24(35)14-10-21)29-8-6-5-7-28(29)38(33(27)42)18-26-25-15-11-23(34(43)45-4)17-22(25)12-16-30(26)44-3/h5-17,20,27,36H,18-19,35H2,1-4H3,(H,37,40)/t20-,27-/m0/s1 LIVBSIKTRVIQMV-DCFHFQCYSA-N 242648 5-[(S)-5-(4-Amino-benzoyl)-3-((S)-2-methylamino-propionylamino)-2-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]-6-methoxy-naphthalene-2-carboxylic acid methyl ester hydrochloride::US10053431, 56 E3 ubiquitin-protein ligase XIAP [124-240] 10.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242648&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076944 376221442 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489465 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc3[nH]ncc23)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O 242649 (2S)-N-[(3S)-1-(1H-indazole-4-carbonyl)- 5-[(2-methylnaphthalen-1-yl)methyl]-4- oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]- 2-(methylamino)propanamide::US10053431, 147 E3 ubiquitin-protein ligase XIAP [124-240] 55.1 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242649&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531382 376221443 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489467 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)C1=O InChI=1S/C33H33N5O6/c1-19(35-2)30(39)36-26-18-38(31(40)20-8-12-23(34)13-9-20)28-7-5-4-6-27(28)37(32(26)41)17-25-24-14-10-22(33(42)43)16-21(24)11-15-29(25)44-3/h4-16,19,26,35H,17-18,34H2,1-3H3,(H,36,39)(H,42,43)/t19-,26-/m0/s1 YVMFJSWIPWZQQR-SIBVEZHUSA-N 242650 5-(((S)-5-(4-aminobenzoyl)-3-((S)-2-(methylamino)propanamido)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-1-yl)methyl)-6-methoxy-2-naphthoic acid hydrochloride::US10053431, 57 E3 ubiquitin-protein ligase XIAP [124-240] 7.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242650&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076729 376221444 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489469 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccc2[C@H](C)O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C34H36N4O4/c1-21-17-18-24-11-5-6-13-26(24)28(21)19-37-30-15-9-10-16-31(30)38(20-29(34(37)42)36-32(40)22(2)35-4)33(41)27-14-8-7-12-25(27)23(3)39/h5-18,22-23,29,35,39H,19-20H2,1-4H3,(H,36,40)/t22-,23-,29-/m0/s1 TVHGDHABYXJTBR-BOSRLCDASA-N 242651 (2S)-N-[(3S)-1-[2-[(1S)-1- hydroxyethyl]benzoyl]-5-[(2- methylnaphthalen-1-yl)methyl]-4-oxo- 2,3-dihydro-1,5-benzodiazepin-3-yl]-2- (methylamino)propanamide;(2S)-N-[(3S)- 1-[2-[(1R)-1-hydroxyethyl]benzoyl]-5- [(2-methylnaphthalen-1-yl)methyl]-4-oxo- 2,3-dihydro-1,5-benzodiazepin-3-yl]-2- (methylamino)propanamide::US10053431, 148::US10053431, 153 E3 ubiquitin-protein ligase XIAP [124-240] 40.1 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242651&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531424 376221445 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489471 CN[C@@H](C)C(=O)N[C@H]1CN2CCCNC(=O)c3ccc4c(CN(c5ccccc25)C1=O)c(OC)ccc4c3 InChI=1S/C29H33N5O4/c1-18(30-2)27(35)32-23-17-33-14-6-13-31-28(36)20-9-11-21-19(15-20)10-12-26(38-3)22(21)16-34(29(23)37)25-8-5-4-7-24(25)33/h4-5,7-12,15,18,23,30H,6,13-14,16-17H2,1-3H3,(H,31,36)(H,32,35)/t18-,23-/m0/s1 ILJSXABYHBJFSO-MBSDFSHPSA-N 242652 Cyclic-5-[(S)-5-(3-amino-propyl)-3-((S)-2-methylamino-propionylamino)-2-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]-6-methoxy-naphthalene-2-carboxylic amide hydrochloride::US10053431, 58 E3 ubiquitin-protein ligase XIAP [124-240] 358 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242652&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118086444 376221446 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489473 CCN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C29H33BrN4O6S/c1-5-31-18(2)28(36)32-23-16-33(27(35)17-41(4,38)39)24-8-6-7-9-25(24)34(29(23)37)15-22-21-12-11-20(30)14-19(21)10-13-26(22)40-3/h6-14,18,23,31H,5,15-17H2,1-4H3,(H,32,36)/t18-,23-/m0/s1 PXMMLWALQXHVIQ-MBSDFSHPSA-N 242653 (S)-N-((S)-1-((6-bromo-2- methoxynaphthalen-1-yl)methyl)-5-(2- (methylsulfonyl)acetyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(ethylamino)propanamide::US10053431, 149 E3 ubiquitin-protein ligase XIAP [124-240] 183 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242653&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077056 376221447 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489475 CN[C@@H](C)C(=O)N[C@H]1CN2CCNC(=O)c3ccc4c(CN(c5ccccc25)C1=O)c(OC)ccc4c3 InChI=1S/C28H31N5O4/c1-17(29-2)26(34)31-22-16-32-13-12-30-27(35)19-8-10-20-18(14-19)9-11-25(37-3)21(20)15-33(28(22)36)24-7-5-4-6-23(24)32/h4-11,14,17,22,29H,12-13,15-16H2,1-3H3,(H,30,35)(H,31,34)/t17-,22-/m0/s1 UXMSPXIBLYEUGT-JTSKRJEESA-N 242654 Cyclic-5-[(S)-5-(2-Amino-ethyl)-3-((S)-2-methylamino-propionylamino)-2-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]-6-methoxy-naphthalene-2-carboxylic amide hydrochloride::US10053431, 59 E3 ubiquitin-protein ligase XIAP [124-240] 3782 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242654&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122552394 376221448 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489477 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2cc(ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N InChI=1S/C33H29BrFN5O4/c1-19(37-2)31(41)38-27-18-40(32(42)21-8-10-22(35)11-9-21)29-15-20(16-36)7-13-28(29)39(33(27)43)17-25-23-5-4-6-26(34)24(23)12-14-30(25)44-3/h4-15,19,27,37H,17-18H2,1-3H3,(H,38,41)/t19-,27-/m0/s1 SRPYIGHROMQIEO-PPHZAIPVSA-N 242655 (S)-N-((S)-1-((5-bromo-2- methoxynaphthalen-1-yl)methyl)-7- cyano-5-(4-fluorobenzoyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 150 E3 ubiquitin-protein ligase XIAP [124-240] 9.06 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242655&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077167 376221449 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489479 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCC(O)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C31H36N4O5/c1-20-16-17-22-10-4-5-11-23(22)24(20)18-35-27-13-7-6-12-26(27)34(28(36)14-8-9-15-29(37)38)19-25(31(35)40)33-30(39)21(2)32-3/h4-7,10-13,16-17,21,25,32H,8-9,14-15,18-19H2,1-3H3,(H,33,39)(H,37,38)/t21-,25-/m0/s1 SLPPHWLGGWMBHJ-OFVILXPXSA-N 242656 6-((S)-3-((S)-2-(methylamino)propanamido)-5-((2-methylnaphthalen-1-yl)methyl)-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-1-yl)-6-oxohexanoic acid hydrochloride::US10053431, 60 E3 ubiquitin-protein ligase XIAP [124-240] 166 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242656&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076789 376221450 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489481 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2cc(ccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O)C#N InChI=1S/C33H28F3N5O4/c1-19(38-2)30(42)39-26-18-41(31(43)22-8-11-23(34)12-9-22)28-15-20(16-37)7-13-27(28)40(32(26)44)17-25-24-6-4-3-5-21(24)10-14-29(25)45-33(35)36/h3-15,19,26,33,38H,17-18H2,1-2H3,(H,39,42)/t19-,26-/m0/s1 LKJDLVPHMUIGSF-SIBVEZHUSA-N 242657 (S)-N-((S)-7-cyano-1-((2- (difluoromethoxy)naphthalen-1- yl)methyl)-5-(4-fluorobenzoyl)-2-oxo- 2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide hydrochloride::US10053431, 151 E3 ubiquitin-protein ligase XIAP [124-240] 28.4 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242657&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076785 376221451 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489483 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCN)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)OC)C1=O InChI=1S/C30H35N5O6/c1-18(32-2)28(37)33-23-17-34(27(36)13-14-31)24-7-5-6-8-25(24)35(29(23)38)16-22-21-11-9-20(30(39)41-4)15-19(21)10-12-26(22)40-3/h5-12,15,18,23,32H,13-14,16-17,31H2,1-4H3,(H,33,37)/t18-,23-/m0/s1 OMXCQEFOIWXWJB-MBSDFSHPSA-N 242658 5-[(S)-5-(3-Amino-propionyl)-3-((S)-2-methylamino-propionylamino)-2-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]-6-methoxy-naphthalene-2-carboxylic acid methyl ester hydrochloride::US10053431, 61 E3 ubiquitin-protein ligase XIAP [124-240] 72.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242658&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076584 376221452 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489485 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc3cc[nH]c3c2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O 242659 (2S)-N-[(3S)-1-(1H-indole-6-carbonyl)-5- [(2-methylnaphthalen-1-yl)methyl]-4-oxo- 2,3-dihydro-1,5-benzodiazepin-3-yl]-2- (methylamino)propanamide::US10053431, 152 E3 ubiquitin-protein ligase XIAP [124-240] 32.6 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242659&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531471 376221453 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489487 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCN)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)C1=O InChI=1S/C29H33N5O6/c1-17(31-2)27(36)32-22-16-33(26(35)12-13-30)23-6-4-5-7-24(23)34(28(22)37)15-21-20-10-8-19(29(38)39)14-18(20)9-11-25(21)40-3/h4-11,14,17,22,31H,12-13,15-16,30H2,1-3H3,(H,32,36)(H,38,39)/t17-,22-/m0/s1 YUQXREDHCHFNGW-JTSKRJEESA-N 242660 5-(((S)-5-(3-aminopropanoyl)-3-((S)-2-(methylamino)propanamido)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-1-yl)methyl)-6-methoxy-2-naphthoic acid hydrochloride::US10053431, 62 E3 ubiquitin-protein ligase XIAP [124-240] 17.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242660&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076687 376221454 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489489 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccc2[C@H](C)O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C34H36N4O4/c1-21-17-18-24-11-5-6-13-26(24)28(21)19-37-30-15-9-10-16-31(30)38(20-29(34(37)42)36-32(40)22(2)35-4)33(41)27-14-8-7-12-25(27)23(3)39/h5-18,22-23,29,35,39H,19-20H2,1-4H3,(H,36,40)/t22-,23-,29-/m0/s1 TVHGDHABYXJTBR-BOSRLCDASA-N 242651 (2S)-N-[(3S)-1-[2-[(1S)-1- hydroxyethyl]benzoyl]-5-[(2- methylnaphthalen-1-yl)methyl]-4-oxo- 2,3-dihydro-1,5-benzodiazepin-3-yl]-2- (methylamino)propanamide;(2S)-N-[(3S)- 1-[2-[(1R)-1-hydroxyethyl]benzoyl]-5- [(2-methylnaphthalen-1-yl)methyl]-4-oxo- 2,3-dihydro-1,5-benzodiazepin-3-yl]-2- (methylamino)propanamide::US10053431, 148::US10053431, 153 E3 ubiquitin-protein ligase XIAP [124-240] 52.4 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242651&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531424 376221445 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489491 CN[C@@H](C)C(=O)N[C@H]1CN2c3ccccc3N(Cc3c(OC)ccc4cc(ccc34)C(=O)NCCC2=O)C1=O InChI=1S/C29H31N5O5/c1-17(30-2)27(36)32-22-16-33-23-6-4-5-7-24(23)34(29(22)38)15-21-20-10-8-19(28(37)31-13-12-26(33)35)14-18(20)9-11-25(21)39-3/h4-11,14,17,22,30H,12-13,15-16H2,1-3H3,(H,31,37)(H,32,36)/t17-,22-/m0/s1 RRJQCQZSAWTOKG-JTSKRJEESA-N 242662 Cyclic-5-[(S)-5-(3-Amino-propionyl)-3-((S)-2-methylamino-propionylamino)-2-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]-6-methoxy-naphthalene-2-carboxylic amide hydrochloride::US10053431, 63 E3 ubiquitin-protein ligase XIAP [124-240] 19.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242662&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122552396 376221455 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489493 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2cc(ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O)C#N InChI=1S/C33H29BrFN5O4/c1-19(37-2)31(41)38-27-18-40(32(42)21-5-9-24(35)10-6-21)29-14-20(16-36)4-12-28(29)39(33(27)43)17-26-25-11-8-23(34)15-22(25)7-13-30(26)44-3/h4-15,19,27,37H,17-18H2,1-3H3,(H,38,41)/t19-,27-/m0/s1 LSHPLXHILQVMFS-PPHZAIPVSA-N 242663 (S)-N-((S)-1-((6-bromo-2- methoxynaphthalen-1-yl)methyl)-7- cyano-5-(4-fluorobenzoyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 154 E3 ubiquitin-protein ligase XIAP [124-240] 11.5 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242663&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077038 376221456 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489495 C[C@H](N)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C33H32N4O4/c1-20-12-13-24-8-4-5-9-26(24)27(20)18-36-29-10-6-7-11-30(29)37(19-28(33(36)41)35-31(39)21(2)34)32(40)25-16-14-23(15-17-25)22(3)38/h4-17,21,28H,18-19,34H2,1-3H3,(H,35,39)/t21-,28-/m0/s1 HDRZXKUDFVCNST-KMRXNPHXSA-N 242664 (S)—N—((S)-5-(4-acetylbenzoyl)-1-((2-methylnaphthalen-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-aminopropanamide hydrochloride::US10053431, 64 E3 ubiquitin-protein ligase XIAP [124-240] 26.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242664&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077246 376221457 C03803 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489497 CCN[C@@H](CC)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C30H35BrN4O6S/c1-5-23(32-6-2)29(37)33-24-17-34(28(36)18-42(4,39)40)25-12-7-8-13-26(25)35(30(24)38)16-21-19-10-9-11-22(31)20(19)14-15-27(21)41-3/h7-15,23-24,32H,5-6,16-18H2,1-4H3,(H,33,37)/t23-,24-/m0/s1 AERGOPXVHFXTRA-ZEQRLZLVSA-N 242665 (S)-N-((S)-1-((5-bromo-2- methoxynaphthalen-1-yl)methyl)-5-(2- (methylsulfonyl)acetyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(ethylamino)butanamide hydrochloride::US10053431, 155 E3 ubiquitin-protein ligase XIAP [124-240] 18.6 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242665&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077301 376221458 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489499 COc1ccc2ccccc2c1CN1c2ccccc2N(C[C@H](NC(=O)[C@H](C)N)C1=O)C(=O)c1ccc(N)cc1 InChI=1S/C31H31N5O4/c1-19(32)29(37)34-25-18-36(30(38)21-11-14-22(33)15-12-21)27-10-6-5-9-26(27)35(31(25)39)17-24-23-8-4-3-7-20(23)13-16-28(24)40-2/h3-16,19,25H,17-18,32-33H2,1-2H3,(H,34,37)/t19-,25-/m0/s1 OLTFAVQZOZOOLQ-DFBJGRDBSA-N 242666 (S)-2-amino-N—((S)-5-(4-aminobenzoyl)-1-((2-methoxynaphthalen-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)propanamide::US10053431, 65 E3 ubiquitin-protein ligase XIAP [124-240] 7.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242666&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076749 376221459 C03803 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489501 CCN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C29H33BrN4O6S/c1-5-31-18(2)28(36)32-23-16-33(27(35)17-41(4,38)39)24-11-6-7-12-25(24)34(29(23)37)15-21-19-9-8-10-22(30)20(19)13-14-26(21)40-3/h6-14,18,23,31H,5,15-17H2,1-4H3,(H,32,36)/t18-,23-/m0/s1 FGSKCZWRRAOLCH-MBSDFSHPSA-N 242667 (S)-N-((S)-1-((5-bromo-2- methoxynaphthalen-1-yl)methyl)-5-(2- (methylsulfonyl)acetyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(ethylamino)propanamide hydrochloride::US10053431, 156 E3 ubiquitin-protein ligase XIAP [124-240] 42.9 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242667&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077327 376221460 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489503 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)[N+]([O-])=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C32H31N5O5/c1-20-12-13-22-8-4-5-9-25(22)26(20)18-35-28-10-6-7-11-29(28)36(19-27(32(35)40)34-30(38)21(2)33-3)31(39)23-14-16-24(17-15-23)37(41)42/h4-17,21,27,33H,18-19H2,1-3H3,(H,34,38)/t21-,27-/m0/s1 HAOHFLWHICJWHC-IDISGSTGSA-N 242668 (2S)-2-(methylamino)-N-[(3S)-5-[(2-methyl-1-naphthyl)methyl]-1-(4-nitrobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]propanamide hydrochloride::US10053431, 66 E3 ubiquitin-protein ligase XIAP [124-240] 38.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242668&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076995 376221461 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489505 CCN[C@@H](CC)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C30H35BrN4O6S/c1-5-23(32-6-2)29(37)33-24-17-34(28(36)18-42(4,39)40)25-9-7-8-10-26(25)35(30(24)38)16-22-21-13-12-20(31)15-19(21)11-14-27(22)41-3/h7-15,23-24,32H,5-6,16-18H2,1-4H3,(H,33,37)/t23-,24-/m0/s1 IUNPGRYHIFZUCJ-ZEQRLZLVSA-N 242669 (S)-N-((S)-1-((6-bromo-2- methoxynaphthalen-1-yl)methyl)-5-(2- (methylsulfonyl)acetyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(ethylamino)butanamide hydrochloride::US10053431, 157 E3 ubiquitin-protein ligase XIAP [124-240] 19.4 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242669&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076671 376221462 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489507 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C32H33N5O3/c1-20-12-13-22-8-4-5-9-25(22)26(20)18-36-28-10-6-7-11-29(28)37(31(39)23-14-16-24(33)17-15-23)19-27(32(36)40)35-30(38)21(2)34-3/h4-17,21,27,34H,18-19,33H2,1-3H3,(H,35,38)/t21-,27-/m0/s1 GQDZIRQSHUDXHH-IDISGSTGSA-N 242670 (S)—N—((S)-5-(4-aminobenzoyl)-1-((2-methylnaphthalen-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide hydrochloride::US10053431, 67 E3 ubiquitin-protein ligase XIAP [124-240] 22.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242670&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077317 376221463 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489509 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc3cn[nH]c3c2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O 242671 (2S)-N-[(3S)-1-(1H-indazole-6-carbonyl)- 5-[(2-methylnaphthalen-1-yl)methyl]-4- oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]- 2-(methylamino)propanamide::US10053431, 158 E3 ubiquitin-protein ligase XIAP [124-240] 18.2 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242671&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531434 376221464 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489511 C[C@@H](N)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C33H32N4O4/c1-20-12-13-24-8-4-5-9-26(24)27(20)18-36-29-10-6-7-11-30(29)37(19-28(33(36)41)35-31(39)21(2)34)32(40)25-16-14-23(15-17-25)22(3)38/h4-17,21,28H,18-19,34H2,1-3H3,(H,35,39)/t21-,28+/m1/s1 HDRZXKUDFVCNST-PIKZIKFNSA-N 242672 (R)—N—((S)-5-(4-acetylbenzoyl)-1-((2-methylnaphthalen-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide hydrochloride::US10053431, 68 E3 ubiquitin-protein ligase XIAP [124-240] 1479 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242672&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122552254 376221465 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489513 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O InChI=1S/C31H31N7O5S/c1-20(33-2)30(40)34-24-18-36(29(39)19-44(3,42)43)27-14-8-9-15-28(27)37(31(24)41)17-23-22-11-5-7-13-26(22)38(35-23)25-12-6-4-10-21(25)16-32/h4-15,20,24,33H,17-19H2,1-3H3,(H,34,40)/t20-,24-/m0/s1 RNAGNPWGXYIJQW-RDPSFJRHSA-N 242673 (S)-N-((S)-1-((1-(2-cyanophenyl)-1H- indazol-3-yl)methyl)-5-(2- (methylsulfonyl)acetyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 159 E3 ubiquitin-protein ligase XIAP [124-240] 41.3 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242673&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077411 376221466 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489515 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OCC(F)(F)F)ccc3ccccc23)C1=O InChI=1S/C35H33F3N4O5/c1-21(39-3)32(44)40-28-19-42(33(45)25-14-12-23(13-15-25)22(2)43)30-11-7-6-10-29(30)41(34(28)46)18-27-26-9-5-4-8-24(26)16-17-31(27)47-20-35(36,37)38/h4-17,21,28,39H,18-20H2,1-3H3,(H,40,44)/t21-,28-/m0/s1 URMJPEDUVJVTIM-KMRXNPHXSA-N 242674 US10053431, 69a E3 ubiquitin-protein ligase XIAP [124-240] 32.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242674&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076549 376221467 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489517 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N InChI=1S/C29H30BrN5O6S/c1-17(32-2)28(37)33-23-15-34(27(36)16-42(4,39)40)25-12-18(13-31)8-10-24(25)35(29(23)38)14-21-19-6-5-7-22(30)20(19)9-11-26(21)41-3/h5-12,17,23,32H,14-16H2,1-4H3,(H,33,37)/t17-,23-/m0/s1 WEPCTAAUSDCYCZ-SBUREZEXSA-N 242675 (S)-N-((S)-1-((5-bromo-2- methoxynaphthalen-1-yl)methyl)-7- cyano-5-(2-(methylsulfonyl)acetyl)-2- oxo-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide hydrochloride::US10053431, 160 E3 ubiquitin-protein ligase XIAP [124-240] 16.1 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242675&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531577 376221468 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489519 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OCC(F)(F)F)c[n+]([O-])c3ccccc23)C1=O InChI=1S/C34H32F3N5O6/c1-20(38-3)31(44)39-26-17-41(32(45)23-14-12-22(13-15-23)21(2)43)29-11-7-6-10-28(29)40(33(26)46)16-25-24-8-4-5-9-27(24)42(47)18-30(25)48-19-34(35,36)37/h4-15,18,20,26,38H,16-17,19H2,1-3H3,(H,39,44)/t20-,26-/m0/s1 NAPUAFOAUICUGC-FNZWTVRRSA-N 242676 4-(((S)-5-(4-Acetylbenzoyl)-3-((S)-2-(methylamino)propanamido)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-1-yl)methyl)-3-(2,2,2-trifluoroethoxy)quinoline 1-oxide hydrochloride::US10053431, 70 E3 ubiquitin-protein ligase XIAP [124-240] 41.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242676&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531401 376221469 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489521 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N InChI=1S/C32H30N8O5S/c1-20(35-2)31(42)36-25-18-38(30(41)19-46(3,44)45)29-14-21(15-33)12-13-28(29)39(32(25)43)17-24-23-9-5-7-11-27(23)40(37-24)26-10-6-4-8-22(26)16-34/h4-14,20,25,35H,17-19H2,1-3H3,(H,36,42)/t20-,25-/m0/s1 YEBBKUXDMIGMKX-CPJSRVTESA-N 242677 (2S)-N-[(3S)-7-cyano-1-[[1-(2- cyanophenyl)indazol-3-yl]methyl]-5-(2- methylsulfonylacetyl)-2-oxo-3,4-dihydro- 1,5-benzodiazepin-3-yl]-2- (methylamino)propanamide;2,2,2- trifluoroacetic acid::US10053431, 161 E3 ubiquitin-protein ligase XIAP [124-240] 53.9 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242677&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531392 376221470 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489523 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2noc3ccccc23)C1=O InChI=1S/C28H28N6O4/c1-17(30-2)26(35)31-22-16-33(27(36)18-11-13-19(29)14-12-18)23-8-4-5-9-24(23)34(28(22)37)15-21-20-7-3-6-10-25(20)38-32-21/h3-14,17,22,30H,15-16,29H2,1-2H3,(H,31,35)/t17-,22-/m0/s1 TZQFENVHHXGDDJ-JTSKRJEESA-N 242678 (S)—N—((S)-5-(4-Aminobenzoyl)-1-(benzo[d]isoxazol-3-ylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide hydrochloride::US10053431, 71 E3 ubiquitin-protein ligase XIAP [124-240] 64.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242678&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077019 376221471 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489525 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N InChI=1S/C38H32N8O4/c1-23(41-3)36(48)42-31-22-45(37(49)27-15-13-26(14-16-27)24(2)47)35-18-25(19-39)12-17-34(35)44(38(31)50)21-30-29-9-5-7-11-33(29)46(43-30)32-10-6-4-8-28(32)20-40/h4-18,23,31,41H,21-22H2,1-3H3,(H,42,48)/t23-,31-/m0/s1 HBKKLPXJCFYOFR-FWUCURJTSA-N 242679 (S)-N-((S)-5-(4-acetylbenzoyl)-7-cyano- 1-((1-(2-cyanophenyl)-1H-indazol-3- yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide hydrochloride::US10053431, 162 E3 ubiquitin-protein ligase XIAP [124-240] 18.3 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242679&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077308 376221472 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489527 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)OC)c2ccccc2N(Cc2noc3ccccc23)C1=O InChI=1S/C30H29N5O6/c1-18(31-2)27(36)32-23-17-34(28(37)19-12-14-20(15-13-19)30(39)40-3)24-9-5-6-10-25(24)35(29(23)38)16-22-21-8-4-7-11-26(21)41-33-22/h4-15,18,23,31H,16-17H2,1-3H3,(H,32,36)/t18-,23-/m0/s1 JMSWMUZCNLHGNA-MBSDFSHPSA-N 242680 Methyl 4-((S)-5-(benzo[d]isoxazol-3-ylmethyl)-3-((S)-2-(methylamino)propanamido)-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-1-carbonyl)benzoate hydrochloride::US10053431, 72 E3 ubiquitin-protein ligase XIAP [124-240] 44.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242680&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531414 376221473 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489529 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N InChI=1S/C36H29FN8O3/c1-22(40-2)34(46)41-29-21-44(35(47)24-12-14-26(37)15-13-24)33-17-23(18-38)11-16-32(33)43(36(29)48)20-28-27-8-4-6-10-31(27)45(42-28)30-9-5-3-7-25(30)19-39/h3-17,22,29,40H,20-21H2,1-2H3,(H,41,46)/t22-,29-/m0/s1 SQGMCBHFFRQSCB-ZTOMLWHTSA-N 242681 (S)-N-((S)-7-cyano-1-((1-(2- cyanophenyl)-1H-indazol-3-yl)methyl)-5- (4-fluorobenzoyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 163 E3 ubiquitin-protein ligase XIAP [124-240] 17.2 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242681&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076645 376221474 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489531 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C33H30BrN5O4/c1-20(36-2)31(40)37-27-19-39(32(41)22-13-11-21(17-35)12-14-22)29-10-5-4-9-28(29)38(33(27)42)18-25-23-7-6-8-26(34)24(23)15-16-30(25)43-3/h4-16,20,27,36H,18-19H2,1-3H3,(H,37,40)/t20-,27-/m0/s1 LNKXDVFBJVCXBW-DCFHFQCYSA-N 242682 (S)—N—((S)-1-((5-Bromo-2-methoxynaphthalen-1-yl)methyl)-5-(4-cyanobenzoyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide hydrochloride::US10053431, 73 E3 ubiquitin-protein ligase XIAP [124-240] 6.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242682&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076595 376221475 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489533 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2nn(C)c3ccccc23)C1=O)C#N InChI=1S/C26H29N7O5S/c1-16(28-2)25(35)29-20-14-32(24(34)15-39(4,37)38)23-11-17(12-27)9-10-22(23)33(26(20)36)13-19-18-7-5-6-8-21(18)31(3)30-19/h5-11,16,20,28H,13-15H2,1-4H3,(H,29,35)/t16-,20-/m0/s1 QSEIHNAIPUXQGH-JXFKEZNVSA-N 243076 (S)-N-((S)-7-cyano-1-((1-methyl-1H- indazol-3-yl)methyl)-5-(2- (methylsulfonyl)acetyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 164 E3 ubiquitin-protein ligase XIAP [124-240] 103 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243076&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076701 376221476 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489535 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2ccccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O InChI=1S/C33H29F2N5O4/c1-20(37-2)30(41)38-26-19-40(31(42)23-13-11-21(17-36)12-14-23)28-10-6-5-9-27(28)39(32(26)43)18-25-24-8-4-3-7-22(24)15-16-29(25)44-33(34)35/h3-16,20,26,33,37H,18-19H2,1-2H3,(H,38,41)/t20-,26-/m0/s1 MYOBQHKFHNAVIK-FNZWTVRRSA-N 243077 (S)—N—((S)-5-(4-Cyanobenzoyl)-1-((2-(difluoromethoxy)naphthalen-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide::US10053431, 74 E3 ubiquitin-protein ligase XIAP [124-240] 49.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243077&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076803 376221477 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489537 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N InChI=1S/C29H31N5O5S/c1-18-9-11-21-7-5-6-8-22(21)23(18)15-34-25-12-10-20(14-30)13-26(25)33(27(35)17-40(4,38)39)16-24(29(34)37)32-28(36)19(2)31-3/h5-13,19,24,31H,15-17H2,1-4H3,(H,32,36)/t19-,24-/m0/s1 AGGFNBSBTKKUBE-CYFREDJKSA-N 243090 (S)-N-((S)-7-cyano-1-((2- methylnaphthalen-1-yl)methyl)-5-(2- (methylsulfonyl)acetyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 165 E3 ubiquitin-protein ligase XIAP [124-240] 59.2 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243090&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076571 376221478 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489539 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C32H30BrFN4O4/c1-19(35-2)30(39)36-26-18-38(31(40)20-8-12-23(34)13-9-20)28-7-5-4-6-27(28)37(32(26)41)17-25-24-14-11-22(33)16-21(24)10-15-29(25)42-3/h4-16,19,26,35H,17-18H2,1-3H3,(H,36,39)/t19-,26-/m0/s1 IYAXXUOLQDPMLM-SIBVEZHUSA-N 50441829 CHEMBL2436331::US10053431, 75a E3 ubiquitin-protein ligase XIAP [124-240] 8.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441829&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711251 175454146 CHEMBL2436331 ZINC96285536 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489541 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(OC)ccc3ccccc23)C1=O)C#N InChI=1S/C29H31N5O6S/c1-18(31-2)28(36)32-23-16-33(27(35)17-41(4,38)39)25-13-19(14-30)9-11-24(25)34(29(23)37)15-22-21-8-6-5-7-20(21)10-12-26(22)40-3/h5-13,18,23,31H,15-17H2,1-4H3,(H,32,36)/t18-,23-/m0/s1 LTHJWVFDLNDYAO-MBSDFSHPSA-N 243092 (S)-N-((S)-7-cyano-1-((2- methoxynaphthalen-1-yl)methyl)-5-(2- (methylsulfonyl)acetyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 166 E3 ubiquitin-protein ligase XIAP [124-240] 20.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243092&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077051 376221480 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489543 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2cccnc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C32H32BrN5O4/c1-20(34-2)31(40)36-26-19-37(30(39)15-21-7-6-14-35-17-21)27-8-4-5-9-28(27)38(32(26)41)18-25-24-12-11-23(33)16-22(24)10-13-29(25)42-3/h4-14,16-17,20,26,34H,15,18-19H2,1-3H3,(H,36,40)/t20-,26-/m0/s1 YEFFLKUAMCNGBI-FNZWTVRRSA-N 50441830 CHEMBL2436210::US10053431, 85 E3 ubiquitin-protein ligase XIAP [124-240] 7.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441830&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711722 175454147 CHEMBL2436210 ZINC96285537 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489545 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccc(cc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N InChI=1S/C32H30N8O5S/c1-20(35-2)31(42)36-25-18-38(30(41)19-46(3,44)45)28-13-12-21(15-33)14-29(28)39(32(25)43)17-24-23-9-5-7-11-27(23)40(37-24)26-10-6-4-8-22(26)16-34/h4-14,20,25,35H,17-19H2,1-3H3,(H,36,42)/t20-,25-/m0/s1 MLGYSEOKPCYSHL-CPJSRVTESA-N 243094 (S)-N-((S)-8-cyano-1-((1-(2- cyanophenyl)-1H-indazol-3-yl)methyl)-5- (2-(methylsulfonyl)acetyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 167 E3 ubiquitin-protein ligase XIAP [124-240] 99.5 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243094&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531438 376221482 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489547 CN[C@@H](C)C(=O)N[C@H]1CN(Cc2ccccc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C32H33BrN4O3/c1-21(34-2)31(38)35-27-20-36(18-22-9-5-4-6-10-22)28-11-7-8-12-29(28)37(32(27)39)19-26-25-15-14-24(33)17-23(25)13-16-30(26)40-3/h4-17,21,27,34H,18-20H2,1-3H3,(H,35,38)/t21-,27-/m0/s1 LOLGTAJHBKRVRL-IDISGSTGSA-N 243095 (S)—N—((S)-5-Benzyl-1-((6-bromo-2-methoxynaphthalen-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide trifluoroacetate::US10053431, 77 E3 ubiquitin-protein ligase XIAP [124-240] 47.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243095&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077021 376221483 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489549 CN[C@@H](C)C(=O)N[C@H]1CNc2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N InChI=1S/C29H26N8O2/c1-18(32-2)28(38)34-23-16-33-22-13-19(14-30)11-12-27(22)36(29(23)39)17-24-21-8-4-6-10-26(21)37(35-24)25-9-5-3-7-20(25)15-31/h3-13,18,23,32-33H,16-17H2,1-2H3,(H,34,38)/t18-,23-/m0/s1 CWBVLVWXNPYBBJ-MBSDFSHPSA-N 243096 (S)-N-((S)-7-cyano-1-((1-(2- cyanophenyl)-1H-indazol-3-yl)methyl)-2- oxo-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide dihydrochloride::US10053431, 168 E3 ubiquitin-protein ligase XIAP [124-240] 95.7 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243096&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531569 376221484 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489551 CN[C@@H](C)C(=O)N[C@H]1CN(Cc2ccc(cc2)C#N)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C33H32BrN5O3/c1-21(36-2)32(40)37-28-20-38(18-23-10-8-22(17-35)9-11-23)29-6-4-5-7-30(29)39(33(28)41)19-27-26-14-13-25(34)16-24(26)12-15-31(27)42-3/h4-16,21,28,36H,18-20H2,1-3H3,(H,37,40)/t21-,28-/m0/s1 VJQUOVDKQYXICT-KMRXNPHXSA-N 243097 (S)—N—((S)-1-((6-Bromo-2-methoxynaphthalen-1-yl)methyl)-5-(4-cyanobenzyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide trifluoroacetate::US10053431, 78 E3 ubiquitin-protein ligase XIAP [124-240] 30.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243097&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076739 376221485 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489553 CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N InChI=1S/C31H28N8O3/c1-19(34-3)30(41)35-25-18-37(20(2)40)29-14-21(15-32)12-13-28(29)38(31(25)42)17-24-23-9-5-7-11-27(23)39(36-24)26-10-6-4-8-22(26)16-33/h4-14,19,25,34H,17-18H2,1-3H3,(H,35,41)/t19-,25-/m0/s1 QGHSMBWRUAZMSH-DFBJGRDBSA-N 243098 (S)-N-((S)-5-acetyl-7-cyano-1-((1-(2- cyanophenyl)-1H-indazol-3-yl)methyl)-2- oxo-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide hydrochloride::US10053431, 169 E3 ubiquitin-protein ligase XIAP [124-240] 33.2 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243098&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076889 376221486 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489555 CCC(NC)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C35H35BrN4O5/c1-5-28(37-3)33(42)38-29-20-40(34(43)23-12-10-22(11-13-23)21(2)41)31-9-7-6-8-30(31)39(35(29)44)19-27-26-16-15-25(36)18-24(26)14-17-32(27)45-4/h6-18,28-29,37H,5,19-20H2,1-4H3,(H,38,42)/t28?,29-/m0/s1 DAVMYBGHJUAMGX-XIJSCUBXSA-N 243099 (S)—N—((S)-5-(4-Acetylbenzoyl)-1-((6-bromo-2-methoxynaphthalen-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)butanamide hydrochloride::US10053431, 79 E3 ubiquitin-protein ligase XIAP [124-240] 1.000 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243099&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 134823046 376221487 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489557 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C2CCOCC2)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N InChI=1S/C35H34N8O4/c1-22(38-2)33(44)39-28-21-42(34(45)24-13-15-47-16-14-24)32-17-23(18-36)11-12-31(32)41(35(28)46)20-27-26-8-4-6-10-30(26)43(40-27)29-9-5-3-7-25(29)19-37/h3-12,17,22,24,28,38H,13-16,20-21H2,1-2H3,(H,39,44)/t22-,28-/m0/s1 JPSHIAQRZFQBBB-DWACAAAGSA-N 243100 (S)-N-((S)-7-cyano-1-((1-(2- cyanophenyl)-1H-indazol-3-yl)methyl)-2- oxo-5-(tetrahydro-2H-pyran-4-carbonyl)- 2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide hydrochloride::US10053431, 170 E3 ubiquitin-protein ligase XIAP [124-240] 25.5 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243100&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077347 376221488 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489559 CCN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C35H35BrN4O5/c1-5-37-21(2)33(42)38-29-20-40(34(43)24-12-10-23(11-13-24)22(3)41)31-9-7-6-8-30(31)39(35(29)44)19-28-27-16-15-26(36)18-25(27)14-17-32(28)45-4/h6-18,21,29,37H,5,19-20H2,1-4H3,(H,38,42)/t21-,29-/m0/s1 CZTUMEJKHNBRMB-LGGPFLRQSA-N 243101 (S)—N—((S)-5-(4-Acetylbenzoyl)-1-((6-bromo-2-methoxynaphthalen-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(ethylamino)propanamide hydrochloride::US10053431, 80 E3 ubiquitin-protein ligase XIAP [124-240] 14.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243101&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077123 376221489 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489561 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccc(cc2N(Cc2c(OC)ccc3ccccc23)C1=O)C#N InChI=1S/C29H31N5O6S/c1-18(31-2)28(36)32-23-16-33(27(35)17-41(4,38)39)24-11-9-19(14-30)13-25(24)34(29(23)37)15-22-21-8-6-5-7-20(21)10-12-26(22)40-3/h5-13,18,23,31H,15-17H2,1-4H3,(H,32,36)/t18-,23-/m0/s1 CFDGAKTVRXQYIB-MBSDFSHPSA-N 243102 (S)-N-((S)-8-cyano-1-((2- methoxynaphthalen-1-yl)methyl)-5-(2- (methylsulfonyl)acetyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 171 E3 ubiquitin-protein ligase XIAP [124-240] 30.3 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243102&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076723 376221490 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489563 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C28H31BrN4O6S/c1-17(30-2)27(35)31-22-15-32(26(34)16-40(4,37)38)23-10-5-6-11-24(23)33(28(22)36)14-20-18-8-7-9-21(29)19(18)12-13-25(20)39-3/h5-13,17,22,30H,14-16H2,1-4H3,(H,31,35)/t17-,22-/m0/s1 FGIFICWCAGQNOA-JTSKRJEESA-N 243103 (S)—N—((S)-1-((5-Bromo-2-methoxynaphthalen-1-yl)methyl)-5-(2-(methylsulfonyl)acetyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide hydrochloride::US10053431, 81 E3 ubiquitin-protein ligase XIAP [124-240] 24.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243103&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076667 376221491 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489565 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccc(cc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N InChI=1S/C29H31N5O5S/c1-18-9-11-21-7-5-6-8-22(21)23(18)15-34-26-13-20(14-30)10-12-25(26)33(27(35)17-40(4,38)39)16-24(29(34)37)32-28(36)19(2)31-3/h5-13,19,24,31H,15-17H2,1-4H3,(H,32,36)/t19-,24-/m0/s1 GOQZTJDTWHPUJD-CYFREDJKSA-N 243104 (S)-N-((S)-8-cyano-1-((2- methylnaphthalen-1-yl)methyl)-5-(2- (methylsulfonyl)acetyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 172 E3 ubiquitin-protein ligase XIAP [124-240] 94.7 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243104&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077081 376221492 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489567 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O InChI=1S/C28H32N4O6S/c1-18(29-2)27(34)30-22-16-31(26(33)17-39(4,36)37)23-11-7-8-12-24(23)32(28(22)35)15-21-20-10-6-5-9-19(20)13-14-25(21)38-3/h5-14,18,22,29H,15-17H2,1-4H3,(H,30,34)/t18-,22-/m0/s1 OGXPHJKZQFVFOP-AVRDEDQJSA-N 243105 (S)—N—((S)-1-((2-Methoxynaphthalen-1-yl)methyl)-5-(2-(methylsulfonyl)acetyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide hydrochloride::US10053431, 82 E3 ubiquitin-protein ligase XIAP [124-240] 29.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243105&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076860 376221493 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489569 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCOC)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N InChI=1S/C33H32N8O4/c1-21(36-2)32(43)37-26-20-39(31(42)14-15-45-3)30-16-22(17-34)12-13-29(30)40(33(26)44)19-25-24-9-5-7-11-28(24)41(38-25)27-10-6-4-8-23(27)18-35/h4-13,16,21,26,36H,14-15,19-20H2,1-3H3,(H,37,43)/t21-,26-/m0/s1 NWMLCUDSFNQPNC-LVXARBLLSA-N 243106 (S)-N-((S)-7-cyano-1-((1-(2- cyanophenyl)-1H-indazol-3-yl)methyl)-5- (3-methoxypropanoyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 173 E3 ubiquitin-protein ligase XIAP [124-240] 37.6 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243106&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076841 376221494 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489571 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O InChI=1S/C28H30F2N4O6S/c1-17(31-2)26(36)32-21-15-33(25(35)16-41(3,38)39)22-10-6-7-11-23(22)34(27(21)37)14-20-19-9-5-4-8-18(19)12-13-24(20)40-28(29)30/h4-13,17,21,28,31H,14-16H2,1-3H3,(H,32,36)/t17-,21-/m0/s1 DVMSAXASHGXOKB-UWJYYQICSA-N 243107 (S)—N—((S)-1-((2-(Difluoromethoxy)naphthalen-1-yl)methyl)-5-(2-(methylsulfonyl)acetyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide hydrochloride::US10053431, 83 E3 ubiquitin-protein ligase XIAP [124-240] 121 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243107&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076900 376221495 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489573 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccncc2)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N InChI=1S/C35H29N9O3/c1-22(38-2)33(45)40-28-21-43(34(46)24-13-15-39-16-14-24)32-17-23(18-36)11-12-31(32)42(35(28)47)20-27-26-8-4-6-10-30(26)44(41-27)29-9-5-3-7-25(29)19-37/h3-17,22,28,38H,20-21H2,1-2H3,(H,40,45)/t22-,28-/m0/s1 QZIVNKNQWYOBJD-DWACAAAGSA-N 243108 (S)-N-((S)-7-cyano-1-((1-(2- cyanophenyl)-1H-indazol-3-yl)methyl)-5- isonicotinoyl-2-oxo-2,3,4,5-tetrahydro- 1H-benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide dihydrochloride::US10053431, 174 E3 ubiquitin-protein ligase XIAP [124-240] 22.4 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243108&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077220 376221496 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489575 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C33H30BrN5O4/c1-20(36-2)31(40)37-27-19-39(32(41)22-10-8-21(17-35)9-11-22)29-7-5-4-6-28(29)38(33(27)42)18-26-25-14-13-24(34)16-23(25)12-15-30(26)43-3/h4-16,20,27,36H,18-19H2,1-3H3,(H,37,40)/t20-,27-/m0/s1 QIVSDYYFNPWSEF-DCFHFQCYSA-N 243109 (2S)—N-[(3S)-5-[[6-bromo-2-(trideuteriomethoxy)-1-naphthyl]methyl]-1-(4-cyanobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-(methylamino)propanamide hydrochloride::US10053431, 13p::US10053431, 84 E3 ubiquitin-protein ligase XIAP [124-240] 10.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243109&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076961 376221497 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489577 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccc(cc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N InChI=1S/C29H30BrN5O6S/c1-17(32-2)28(37)33-23-15-34(27(36)16-42(4,39)40)24-10-8-18(13-31)12-25(24)35(29(23)38)14-21-19-6-5-7-22(30)20(19)9-11-26(21)41-3/h5-12,17,23,32H,14-16H2,1-4H3,(H,33,37)/t17-,23-/m0/s1 JUAPCEVTUXIEDE-SBUREZEXSA-N 243110 (S)-N-((S)-1-((5-bromo-2- methoxynaphthalen-1-yl)methyl)-8- cyano-5-(2-(methylsulfonyl)acetyl)-2- oxo-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide hydrochloride::US10053431, 175 E3 ubiquitin-protein ligase XIAP [124-240] 18.3 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243110&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531489 376221498 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489579 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2cccnc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C32H32BrN5O4/c1-20(34-2)31(40)36-26-19-37(30(39)15-21-7-6-14-35-17-21)27-8-4-5-9-28(27)38(32(26)41)18-25-24-12-11-23(33)16-22(24)10-13-29(25)42-3/h4-14,16-17,20,26,34H,15,18-19H2,1-3H3,(H,36,40)/t20-,26-/m0/s1 YEFFLKUAMCNGBI-FNZWTVRRSA-N 50441830 CHEMBL2436210::US10053431, 85 E3 ubiquitin-protein ligase XIAP [124-240] 12.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441830&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711722 175454147 CHEMBL2436210 ZINC96285537 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489581 CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2cc(ccc2N(Cc2c(ccc3c(cccc23)C#N)C2CC2)C1=O)C#N InChI=1S/C31H30N6O3/c1-18(34-3)30(39)35-27-17-36(19(2)38)29-13-20(14-32)7-12-28(29)37(31(27)40)16-26-23(21-8-9-21)10-11-24-22(15-33)5-4-6-25(24)26/h4-7,10-13,18,21,27,34H,8-9,16-17H2,1-3H3,(H,35,39)/t18-,27-/m0/s1 SRWSQAJBSMBUEO-MYUZEXMDSA-N 243112 (S)-N-((S)-5-acetyl-7-cyano-1-((5-cyano- 2-cyclopropylnaphthalen-1-yl)methyl)-2- oxo-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide hydrochloride::US10053431, 176 E3 ubiquitin-protein ligase XIAP [124-240] 38.2 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243112&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076607 376221500 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489583 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C32H37BrN4O5/c1-20(34-2)31(39)35-26-19-36(30(38)16-21-12-14-42-15-13-21)27-6-4-5-7-28(27)37(32(26)40)18-25-24-10-9-23(33)17-22(24)8-11-29(25)41-3/h4-11,17,20-21,26,34H,12-16,18-19H2,1-3H3,(H,35,39)/t20-,26-/m0/s1 AMDHWKSCEMDFGR-FNZWTVRRSA-N 243113 (S)—N—((S)-1-((6-bromo-2-methoxynaphthalen-1-yl)methyl)-2-oxo-5-(2-(tetrahydro-2H-pyran-4-yl)acetyl)-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide hydrochloride::US10053431, 86 E3 ubiquitin-protein ligase XIAP [124-240] 13.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243113&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077146 376221501 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489585 CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C(F)(F)F InChI=1S/C31H28F3N7O3/c1-18(36-3)29(43)37-24-17-39(19(2)42)28-14-21(31(32,33)34)12-13-27(28)40(30(24)44)16-23-22-9-5-7-11-26(22)41(38-23)25-10-6-4-8-20(25)15-35/h4-14,18,24,36H,16-17H2,1-3H3,(H,37,43)/t18-,24-/m0/s1 UUYJEDVPKLBWTH-UUOWRZLLSA-N 243114 (S)-N-((S)-5-acetyl-1-((1-(2- cyanophenyl)-1H-indazol-3-yl)methyl)-2- oxo-7-(trifluoromethyl)-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 177 E3 ubiquitin-protein ligase XIAP [124-240] 35.3 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243114&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076573 376221502 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489587 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C32H37BrN4O5/c1-20(34-2)31(39)35-26-19-36(30(38)17-21-13-15-42-16-14-21)27-9-4-5-10-28(27)37(32(26)40)18-24-22-7-6-8-25(33)23(22)11-12-29(24)41-3/h4-12,20-21,26,34H,13-19H2,1-3H3,(H,35,39)/t20-,26-/m0/s1 DZPAEBGAFMUCAU-FNZWTVRRSA-N 243115 (S)—N—((S)-1-((5-bromo-2-methoxynaphthalen-1-yl)methyl)-2-oxo-5-(2-(tetrahydro-2H-pyran-4-yl)acetyl)-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide hydrochloride::US10053431, 87 E3 ubiquitin-protein ligase XIAP [124-240] 19.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243115&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077304 376221503 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489589 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2c(OCCF)ccc3ccccc23)C1=O InChI=1S/C33H34FN5O4/c1-21(36-2)31(40)37-27-20-39(32(41)23-11-14-24(35)15-12-23)29-10-6-5-9-28(29)38(33(27)42)19-26-25-8-4-3-7-22(25)13-16-30(26)43-18-17-34/h3-16,21,27,36H,17-20,35H2,1-2H3,(H,37,40)/t21-,27-/m0/s1 FTBUPFGGJCLZQI-IDISGSTGSA-N 243116 (2S)-N-[(3S)-1-(4-aminobenzoyl)-5-[[2- (2-fluoroethoxy)naphthalen-1-yl]methyl]- 4-oxo-2,3-dihydro-1,5-benzodiazepin-3- yl]-2- (methylamino)propanamide;hydrochloride::US10053431, 178 E3 ubiquitin-protein ligase XIAP [124-240] 14.2 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243116&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531507 376221504 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489591 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2cccnc2)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C32H32BrN5O4/c1-20(34-2)31(40)36-26-19-37(30(39)16-21-8-7-15-35-17-21)27-11-4-5-12-28(27)38(32(26)41)18-24-22-9-6-10-25(33)23(22)13-14-29(24)42-3/h4-15,17,20,26,34H,16,18-19H2,1-3H3,(H,36,40)/t20-,26-/m0/s1 MGGITSBKIMQADG-FNZWTVRRSA-N 243117 (S)—N—((S)-1-((5-bromo-2-methoxynaphthalen-1-yl)methyl)-2-oxo-5-(2-(pyridin-3-yl)acetyl)-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide hydrochloride::US10053431, 88 E3 ubiquitin-protein ligase XIAP [124-240] 14.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243117&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076791 376221505 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489593 CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2cc(ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N InChI=1S/C28H28BrN5O4/c1-16(31-3)27(36)32-23-15-33(17(2)35)25-12-18(13-30)8-10-24(25)34(28(23)37)14-21-19-6-5-7-22(29)20(19)9-11-26(21)38-4/h5-12,16,23,31H,14-15H2,1-4H3,(H,32,36)/t16-,23-/m0/s1 UCZNEGUUTPQZCS-HJPURHCSSA-N 243118 (S)-N-((S)-5-acetyl-1-((5-bromo-2- methoxynaphthalen-1-yl)methyl)-7- cyano-2-oxo-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide::US10053431, 179 E3 ubiquitin-protein ligase XIAP [124-240] 16.7 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243118&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077202 376221506 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489595 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccn2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C31H30BrN5O4/c1-19(33-2)29(38)35-25-18-37(30(39)24-8-6-7-15-34-24)27-10-5-4-9-26(27)36(31(25)40)17-23-22-13-12-21(32)16-20(22)11-14-28(23)41-3/h4-16,19,25,33H,17-18H2,1-3H3,(H,35,38)/t19-,25-/m0/s1 TWYQHECIANXYGO-DFBJGRDBSA-N 243119 US10053431, 89a E3 ubiquitin-protein ligase XIAP [124-240] 6.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243119 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243119&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076554 376221507 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489597 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C2CCOCC2)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C#N InChI=1S/C33H36N6O4/c1-20(35-2)31(40)37-28-19-39(32(41)23-11-13-43-14-12-23)30-15-21(16-34)7-10-29(30)38(33(28)42)18-26-24-5-3-4-6-27(24)36-17-25(26)22-8-9-22/h3-7,10,15,17,20,22-23,28,35H,8-9,11-14,18-19H2,1-2H3,(H,37,40)/t20-,28-/m0/s1 QUKRKMDFJUXCAY-MMTVBGGISA-N 243120 (S)-N-((S)-7-cyano-1-((3- cyclopropylquinolin-4-yl)methyl)-2-oxo- 5-(telrahydro-2H-pyran-4-carbonyl)- 2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide::US10053431, 180 E3 ubiquitin-protein ligase XIAP [124-240] 18.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243120&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076897 376221508 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489599 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccc2F)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C32H30BrFN4O4/c1-19(35-2)30(39)36-26-18-38(31(40)23-8-4-5-9-25(23)34)28-11-7-6-10-27(28)37(32(26)41)17-24-22-14-13-21(33)16-20(22)12-15-29(24)42-3/h4-16,19,26,35H,17-18H2,1-3H3,(H,36,39)/t19-,26-/m0/s1 AZUWGFNMKLGVNC-SIBVEZHUSA-N 50441825 CHEMBL2436333::US10053431, 90a E3 ubiquitin-protein ligase XIAP [124-240] 11.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441825&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711255 175454142 CHEMBL2436333 ZINC96285532 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489601 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccncc2)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C#N InChI=1S/C33H31N7O3/c1-20(35-2)31(41)38-28-19-40(32(42)23-11-13-36-14-12-23)30-15-21(16-34)7-10-29(30)39(33(28)43)18-26-24-5-3-4-6-27(24)37-17-25(26)22-8-9-22/h3-7,10-15,17,20,22,28,35H,8-9,18-19H2,1-2H3,(H,38,41)/t20-,28-/m0/s1 LKTPSSFKOOCJLH-MMTVBGGISA-N 243122 (S)-N-((S)-7-cyano-1-((3- cyclopropylquinolin-4-yl)methyl)-5- isonicotinoyl-2-oxo-2,3,4,5-tetrahydro- 1H-benzo[bl[1,4]diazepin-3-yl)-2- (methylamino)propanamide::US10053431, 181 E3 ubiquitin-protein ligase XIAP [124-240] 16.9 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243122&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076601 376221510 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489603 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C32H31BrN4O4/c1-20(34-2)30(38)35-26-19-37(31(39)21-9-5-4-6-10-21)28-12-8-7-11-27(28)36(32(26)40)18-25-24-15-14-23(33)17-22(24)13-16-29(25)41-3/h4-17,20,26,34H,18-19H2,1-3H3,(H,35,38)/t20-,26-/m0/s1 VEPLHDWLOOVFAN-FNZWTVRRSA-N 50441834 CHEMBL2436330::US10053431, 91a E3 ubiquitin-protein ligase XIAP [124-240] 6.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441834&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711249 175454151 CHEMBL2436330 ZINC96285541 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489605 CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2cc(ccc2N(Cc2c(OC)ccc3c(cccc23)C#N)C1=O)C#N InChI=1S/C29H28N6O4/c1-17(32-3)28(37)33-24-16-34(18(2)36)26-12-19(13-30)8-10-25(26)35(29(24)38)15-23-22-7-5-6-20(14-31)21(22)9-11-27(23)39-4/h5-12,17,24,32H,15-16H2,1-4H3,(H,33,37)/t17-,24-/m0/s1 JRTOXIMJENDGBX-XDHUDOTRSA-N 243124 (S)-N-((S)-5-acetyl-7-cyano-1-((5-cyano- 2-methoxynaphthalen-1-yl)methyl)-2- oxo-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide::US10053431, 182 E3 ubiquitin-protein ligase XIAP [124-240] 23.5 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243124&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076890 376221512 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489607 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C32H30BrFN4O4/c1-19(35-2)30(39)36-26-18-38(31(40)20-11-13-21(34)14-12-20)28-10-5-4-9-27(28)37(32(26)41)17-24-22-7-6-8-25(33)23(22)15-16-29(24)42-3/h4-16,19,26,35H,17-18H2,1-3H3,(H,36,39)/t19-,26-/m0/s1 RGMOVTZDXIGOSP-SIBVEZHUSA-N 243125 (S)-N-[(S)-1-(5-Bromo-2-methoxy-naphthalen-1-ylmethyl)-5-(4-fluoro-benzoyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-2-methylamino-propionamide hydrochloride::US10053431, 92 E3 ubiquitin-protein ligase XIAP [124-240] 9.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243125&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077212 376221513 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489609 CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C(F)(F)F InChI=1S/C29H30F3N5O3/c1-16(33-3)27(39)35-24-15-36(17(2)38)26-12-19(29(30,31)32)10-11-25(26)37(28(24)40)14-22-20-6-4-5-7-23(20)34-13-21(22)18-8-9-18/h4-7,10-13,16,18,24,33H,8-9,14-15H2,1-3H3,(H,35,39)/t16-,24-/m0/s1 DRGYOURAEOQZMK-FYSMJZIKSA-N 243126 (S)-N-((S)-5-acetyl-1-((3- cyclopropylquinolin-4-yl)methyl)-2-oxo- 7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide::US10053431, 183 E3 ubiquitin-protein ligase XIAP [124-240] 44.8 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243126&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076598 376221514 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489611 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C)cc2)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C33H33BrN4O4/c1-20-12-14-22(15-13-20)32(40)38-19-27(36-31(39)21(2)35-3)33(41)37(28-10-5-6-11-29(28)38)18-25-23-8-7-9-26(34)24(23)16-17-30(25)42-4/h5-17,21,27,35H,18-19H2,1-4H3,(H,36,39)/t21-,27-/m0/s1 USAQVOUWJOLJBF-IDISGSTGSA-N 243127 (S)—N—[(S)-1-(5-Bromo-2-methoxy-naphthalen-1-ylmethyl)-5-(4-methyl-benzoyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-2-methylamino-propionamide hydrochloride::US10053431, 93 E3 ubiquitin-protein ligase XIAP [124-240] 18.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243127&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076954 376221515 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489613 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C2CCOCC2)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C(F)(F)F InChI=1S/C33H36F3N5O4/c1-19(37-2)30(42)39-27-18-41(31(43)21-11-13-45-14-12-21)29-15-22(33(34,35)36)9-10-28(29)40(32(27)44)17-25-23-5-3-4-6-26(23)38-16-24(25)20-7-8-20/h3-6,9-10,15-16,19-21,27,37H,7-8,11-14,17-18H2,1-2H3,(H,39,42)/t19-,27-/m0/s1 RWPQAGGULLKRTG-PPHZAIPVSA-N 243128 (S)-N-((S)-1-((3-cyclopropylquinolin-4- yl)methyl)-2-oxo-5-(tetrahydro-2H-pyran- 4-carbonyl)-7-(trifluoromethyr)-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide::US10053431, 184 E3 ubiquitin-protein ligase XIAP [124-240] 18.3 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243128&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531420 376221516 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489615 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)O)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C34H35BrN4O5/c1-20(36-3)32(41)37-28-19-39(33(42)23-14-12-22(13-15-23)21(2)40)30-11-6-5-10-29(30)38(34(28)43)18-26-24-8-7-9-27(35)25(24)16-17-31(26)44-4/h5-17,20-21,28,36,40H,18-19H2,1-4H3,(H,37,41)/t20-,21?,28-/m0/s1 RAOMAPTYSDNIEA-ZWCJHOFGSA-N 243129 (S)—N—{(S)-1-(5-Bromo-2-methoxy-naphthalen-1-ylmethyl)-5-[4-(1-hydroxy-ethyl)-benzoyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl}-2-methylamino-propionamide, mixture of diastereomers::US10053431, 94 E3 ubiquitin-protein ligase XIAP [124-240] 9.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243129&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077007 376221517 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489617 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCOC)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C(F)(F)F InChI=1S/C31H34F3N5O4/c1-18(35-2)29(41)37-25-17-38(28(40)12-13-43-3)27-14-20(31(32,33)34)10-11-26(27)39(30(25)42)16-23-21-6-4-5-7-24(21)36-15-22(23)19-8-9-19/h4-7,10-11,14-15,18-19,25,35H,8-9,12-13,16-17H2,1-3H3,(H,37,41)/t18-,25-/m0/s1 VALZCXFFXPZMRL-BVZFJXPGSA-N 243130 (S)-N-((S)-1-((3-cyclopropylquinolin-4- yl)methyl)-5-(3-methoxypropanoyl)-2- oxo-7-(trifluoromcthyl)-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide::US10053431, 185 E3 ubiquitin-protein ligase XIAP [124-240] 60.1 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243130&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531394 376221518 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489619 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)(C)O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C35H37BrN4O5/c1-21(37-4)32(41)38-28-20-40(33(42)22-10-13-24(14-11-22)35(2,3)44)30-9-7-6-8-29(30)39(34(28)43)19-27-26-16-15-25(36)18-23(26)12-17-31(27)45-5/h6-18,21,28,37,44H,19-20H2,1-5H3,(H,38,41)/t21-,28-/m0/s1 SFVIFIZOVPTBPV-KMRXNPHXSA-N 243131 (S)—N—{(S)-1-(6-Bromo-2-methoxy-naphthalen-1-ylmethyl)-5-[4-(1-hydroxy-1-methyl-ethyl)-benzoyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl}-2-methylamino-propionamide trifluoroacetate::US10053431, 95 E3 ubiquitin-protein ligase XIAP [124-240] 7.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243131&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076982 376221519 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489621 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccncc2)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C(F)(F)F InChI=1S/C33H31F3N6O3/c1-19(37-2)30(43)40-27-18-42(31(44)21-11-13-38-14-12-21)29-15-22(33(34,35)36)9-10-28(29)41(32(27)45)17-25-23-5-3-4-6-26(23)39-16-24(25)20-7-8-20/h3-6,9-16,19-20,27,37H,7-8,17-18H2,1-2H3,(H,40,43)/t19-,27-/m0/s1 QZDLAGOCMYYDEZ-PPHZAIPVSA-N 243132 (S)-N-((S)-1-((3-cyclopropylquinolin-4- yl)methyl)-5-isonicolinoyl-2-oxo-7- (trifluoromethyl)-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide::US10053431, 186 E3 ubiquitin-protein ligase XIAP [124-240] 25.6 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243132&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077192 376221520 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489623 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)OC)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C34H34N4O5/c1-21-13-14-23-9-5-6-10-26(23)27(21)19-37-29-11-7-8-12-30(29)38(20-28(33(37)41)36-31(39)22(2)35-3)32(40)24-15-17-25(18-16-24)34(42)43-4/h5-18,22,28,35H,19-20H2,1-4H3,(H,36,39)/t22-,28-/m0/s1 JNMRXHHPSYQPFD-DWACAAAGSA-N 243133 US10053431, 96a E3 ubiquitin-protein ligase XIAP [124-240] 99.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243133&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077155 376221521 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489625 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C(F)(F)F InChI=1S/C30H32F3N5O5S/c1-17(34-2)28(40)36-24-15-37(27(39)16-44(3,42)43)26-12-19(30(31,32)33)10-11-25(26)38(29(24)41)14-22-20-6-4-5-7-23(20)35-13-21(22)18-8-9-18/h4-7,10-13,17-18,24,34H,8-9,14-16H2,1-3H3,(H,36,40)/t17-,24-/m0/s1 IRHRKXBXQULNII-XDHUDOTRSA-N 243134 (S)-N-((S)-1-((3-cyclopropylquinolin-4- yl)methyl)-5-(2-(methylsulfonyl)acetyl)- 2-oxo-7-(trifluoromethyl)-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide::US10053431, 187 E3 ubiquitin-protein ligase XIAP [124-240] 49.3 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243134&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531517 376221522 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489627 CCCCC(=O)c1ccc(cc1)C(=O)N1C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc2c(C)ccc3ccccc23)c2ccccc12 InChI=1S/C37H40N4O4/c1-5-6-15-34(42)27-18-20-28(21-19-27)36(44)41-23-31(39-35(43)25(3)38-4)37(45)40(32-13-9-10-14-33(32)41)22-30-24(2)16-17-26-11-7-8-12-29(26)30/h7-14,16-21,25,31,38H,5-6,15,22-23H2,1-4H3,(H,39,43)/t25-,31-/m0/s1 KDASHTNQMDAKAR-FKAPRUDGSA-N 243135 4-[(S)-3-((S)-2-Methylamino-propionylamino)-5-(2-methyl-naphthalen-1-ylmethyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carbonyl]-benzoic acid hydrochloride::US10053431, 97 E3 ubiquitin-protein ligase XIAP [124-240] 100.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243135&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122552259 376221523 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489629 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCS(C)(=O)=O)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C(F)(F)F InChI=1S/C31H34F3N5O5S/c1-18(35-2)29(41)37-25-17-38(28(40)12-13-45(3,43)44)27-14-20(31(32,33)34)10-11-26(27)39(30(25)42)16-23-21-6-4-5-7-24(21)36-15-22(23)19-8-9-19/h4-7,10-11,14-15,18-19,25,35H,8-9,12-13,16-17H2,1-3H3,(H,37,41)/t18-,25-/m0/s1 PAIBPSYLXUOLDV-BVZFJXPGSA-N 243136 (S)-N-((S)-1-((3-cyclopropylquinolin-4- yl)methyl)-5-(3- (methylsulfonyl)propanoyl)-2-oxo-7- (trifluoromethyl)-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide::US10053431, 188 E3 ubiquitin-protein ligase XIAP [124-240] 22.5 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243136&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531462 376221524 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489631 CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(=O)(=O)c1ccc(NC(C)=O)cc1 InChI=1S/C33H35N5O5S/c1-21-13-14-24-9-5-6-10-27(24)28(21)19-37-30-11-7-8-12-31(30)38(20-29(33(37)41)36-32(40)22(2)34-4)44(42,43)26-17-15-25(16-18-26)35-23(3)39/h5-18,22,29,34H,19-20H2,1-4H3,(H,35,39)(H,36,40)/t22-,29-/m0/s1 ZHJFFSZYMNJXMF-ZTOMLWHTSA-N 243137 US10053431, 98a E3 ubiquitin-protein ligase XIAP [124-240] 211 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243137&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077226 376221525 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489633 CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2cc(ccc2N(Cc2c(ccc3c(cccc23)C#N)C2CC2)C1=O)C(F)(F)F InChI=1S/C31H30F3N5O3/c1-17(36-3)29(41)37-26-16-38(18(2)40)28-13-21(31(32,33)34)9-12-27(28)39(30(26)42)15-25-22(19-7-8-19)10-11-23-20(14-35)5-4-6-24(23)25/h4-6,9-13,17,19,26,36H,7-8,15-16H2,1-3H3,(H,37,41)/t17-,26-/m0/s1 YMTNQVSFQVWBKV-QLXKLKPCSA-N 243138 (S)-N-((S)-5-acetyl-1-((5-cyano-2- cyclopropylnaphthalen-1-yl)methyl)-2- oxo-7-(trifluoromethyl)-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide::US10053431, 189 E3 ubiquitin-protein ligase XIAP [124-240] 30.4 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243138&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531406 376221526 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489635 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(N)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C33H33N5O4/c1-20-12-13-22-8-4-5-9-25(22)26(20)18-37-28-10-6-7-11-29(28)38(19-27(33(37)42)36-31(40)21(2)35-3)32(41)24-16-14-23(15-17-24)30(34)39/h4-17,21,27,35H,18-19H2,1-3H3,(H2,34,39)(H,36,40)/t21-,27-/m0/s1 QBSSKPMNUJHWHC-IDISGSTGSA-N 243139 3-[(S)-3-((S)-2-Methylamino-propionylamino)-5-(2-methyl-naphthalen-1-ylmethyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carbonyl]-benzamide hydrochloride::US10053431, 99 E3 ubiquitin-protein ligase XIAP [124-240] 41.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243139&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118086446 376221527 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489637 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(CC(=O)Nc2c(F)cccc2F)C1=O InChI=1S/C24H27F2N5O4/c1-13(27-4)23(34)29-21-14(2)31(15(3)32)19-11-6-5-10-18(19)30(24(21)35)12-20(33)28-22-16(25)8-7-9-17(22)26/h5-11,13-14,21,27H,12H2,1-4H3,(H,28,33)(H,29,34)/t13-,14-,21-/m0/s1 LDVULHNYCCPFER-RXSFTSLZSA-N 243140 (S)-N-((2S,3S)-1-acetyl-5-(2-(2,6- difluorophenylamino)-2-oxoethyl)-2- methyl-4-oxo-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide hydrochloride::US10053431, 190 E3 ubiquitin-protein ligase XIAP [124-240] 85.3 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243140&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076773 376221528 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489639 CN[C@@H](C)C(=O)N[C@H]1CN(c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O)S(=O)(=O)N(C)C InChI=1S/C27H33N5O4S/c1-18-14-15-20-10-6-7-11-21(20)22(18)16-31-24-12-8-9-13-25(24)32(37(35,36)30(4)5)17-23(27(31)34)29-26(33)19(2)28-3/h6-15,19,23,28H,16-17H2,1-5H3,(H,29,33)/t19-,23-/m0/s1 GLPZAIMUFIEEIO-CVDCTZTESA-N 243141 (S)—N—[(S)-5-Dimethylsulfamoyl-1-(2-methyl-naphthalen-1-ylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-2-methylamino-propionamide hydrochloride::US10053431, 100 E3 ubiquitin-protein ligase XIAP [124-240] 249 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243141&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077413 376221529 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489641 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(CC(=O)Nc2ccccc2)C1=O InChI=1S/C24H29N5O4/c1-15(25-4)23(32)27-22-16(2)29(17(3)30)20-13-9-8-12-19(20)28(24(22)33)14-21(31)26-18-10-6-5-7-11-18/h5-13,15-16,22,25H,14H2,1-4H3,(H,26,31)(H,27,32)/t15-,16-,22-/m0/s1 ICDWTUVGOBRBTJ-WCJKSRRJSA-N 243142 (S)-N-((2S,3S)-1-acetyl-2-methyl-4-oxo- 5-(2-oxo-2-(phenylamino)ethyl)-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 191 E3 ubiquitin-protein ligase XIAP [124-240] 434 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243142&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 122531450 376221530 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489643 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccc2C(C)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C34H34N4O4/c1-21-17-18-24-11-5-6-13-26(24)28(21)19-37-30-15-9-10-16-31(30)38(20-29(34(37)42)36-32(40)22(2)35-4)33(41)27-14-8-7-12-25(27)23(3)39/h5-18,22,29,35H,19-20H2,1-4H3,(H,36,40)/t22-,29-/m0/s1 VINJCNHSZRXUCX-ZTOMLWHTSA-N 243143 (S)—N—[(S)-5-(2-Acetyl-benzoyl)-1-(2-methyl-naphthalen-1-ylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-2-methylamino-propionamide::US10053431, 101 E3 ubiquitin-protein ligase XIAP [124-240] 36.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243143&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076942 376221531 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489645 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(C(C(=O)Nc2c(F)cccc2F)c2ccccc2)C1=O InChI=1S/C30H31F2N5O4/c1-17(33-4)28(39)34-25-18(2)36(19(3)38)23-15-8-9-16-24(23)37(30(25)41)27(20-11-6-5-7-12-20)29(40)35-26-21(31)13-10-14-22(26)32/h5-18,25,27,33H,1-4H3,(H,34,39)(H,35,40)/t17-,18-,25-,27?/m0/s1 LOUFNPRJITUWBZ-XPTGHELJSA-N 243144 (2S)-N-((2S,3S)-1-acetyl-5-(2-(2,6- difluorophenylamino)-2-oxo-1- phenylethyl)-2-methyl-4-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 192 E3 ubiquitin-protein ligase XIAP [124-240] 240 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243144&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077197 376221532 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489647 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(CO)cc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C33H34N4O4/c1-21-12-15-24-8-4-5-9-26(24)27(21)18-36-29-10-6-7-11-30(29)37(32(40)25-16-13-23(20-38)14-17-25)19-28(33(36)41)35-31(39)22(2)34-3/h4-17,22,28,34,38H,18-20H2,1-3H3,(H,35,39)/t22-,28-/m0/s1 YLMVDIJXVNORMX-DWACAAAGSA-N 243145 (S)—N—[(S)-5-(4-Hydroxymethyl-benzoyl)-1-(2-methyl-naphthalen-1-ylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-2-methylamino-propionamide hydrochloride::US10053431, 102 E3 ubiquitin-protein ligase XIAP [124-240] 57.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243145&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076639 376221533 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489649 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2ccncc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C32H33N5O3/c1-21-12-13-24-8-4-5-9-25(24)26(21)19-37-29-11-7-6-10-28(29)36(30(38)18-23-14-16-34-17-15-23)20-27(32(37)40)35-31(39)22(2)33-3/h4-17,22,27,33H,18-20H2,1-3H3,(H,35,39)/t22-,27-/m0/s1 FDPGTHGFKUIWGT-CUNXSJBXSA-N 243146 US10053431, 13b E3 ubiquitin-protein ligase XIAP [124-240] 371 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243146&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077132 376221534 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489651 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)S(C)(=O)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C33H34N4O5S/c1-21-13-14-23-9-5-6-10-26(23)27(21)19-36-29-11-7-8-12-30(29)37(20-28(33(36)40)35-31(38)22(2)34-3)32(39)24-15-17-25(18-16-24)43(4,41)42/h5-18,22,28,34H,19-20H2,1-4H3,(H,35,38)/t22-,28-/m0/s1 BDRQBDDODAYDGS-DWACAAAGSA-N 243147 US10053431, 13c E3 ubiquitin-protein ligase XIAP [124-240] 119 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243147&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077270 376221535 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489653 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCC(C)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C31H36N4O4/c1-20-16-17-23-11-5-6-12-24(23)25(20)18-35-28-14-8-7-13-27(28)34(29(37)15-9-10-21(2)36)19-26(31(35)39)33-30(38)22(3)32-4/h5-8,11-14,16-17,22,26,32H,9-10,15,18-19H2,1-4H3,(H,33,38)/t22-,26-/m0/s1 HYNQGODBKQUEBT-NVQXNPDNSA-N 243148 US10053431, 13d E3 ubiquitin-protein ligase XIAP [124-240] 175 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243148&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076927 376221536 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489655 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCC(=O)OC)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C32H38N4O5/c1-21-17-18-23-11-5-6-12-24(23)25(21)19-36-28-14-8-7-13-27(28)35(29(37)15-9-10-16-30(38)41-4)20-26(32(36)40)34-31(39)22(2)33-3/h5-8,11-14,17-18,22,26,33H,9-10,15-16,19-20H2,1-4H3,(H,34,39)/t22-,26-/m0/s1 XQQUXXXVYVMKQR-NVQXNPDNSA-N 243149 US10053431, 13e E3 ubiquitin-protein ligase XIAP [124-240] 308 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243149&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118086577 376221537 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489657 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C34H34N4O4/c1-21-13-14-25-9-5-6-10-27(25)28(21)19-37-30-11-7-8-12-31(30)38(20-29(34(37)42)36-32(40)22(2)35-4)33(41)26-17-15-24(16-18-26)23(3)39/h5-18,22,29,35H,19-20H2,1-4H3,(H,36,40)/t22-,29-/m0/s1 FPRVCZFEMZUZRG-ZTOMLWHTSA-N 243150 US10053431, 13f E3 ubiquitin-protein ligase XIAP [124-240] 54.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243150&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077058 376221538 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489659 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C35H38N4O6/c1-21-15-16-23-11-7-8-12-25(23)26(21)19-38-28-13-9-10-14-29(28)39(20-27(35(38)42)37-33(40)22(2)36-3)34(41)24-17-30(43-4)32(45-6)31(18-24)44-5/h7-18,22,27,36H,19-20H2,1-6H3,(H,37,40)/t22-,27-/m0/s1 FKGOLBNZPGUDLK-CUNXSJBXSA-N 243151 US10053431, 13g E3 ubiquitin-protein ligase XIAP [124-240] 481 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243151&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077083 376221539 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489661 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C34H33BrN4O5/c1-20(36-3)32(41)37-28-19-39(33(42)23-11-9-22(10-12-23)21(2)40)30-8-6-5-7-29(30)38(34(28)43)18-27-26-15-14-25(35)17-24(26)13-16-31(27)44-4/h5-17,20,28,36H,18-19H2,1-4H3,(H,37,41)/t20-,28-/m0/s1 VBKYKJZFJATBDB-MMTVBGGISA-N 50441820 CHEMBL2436206::US10053431, 69l E3 ubiquitin-protein ligase XIAP [124-240] 22.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441820&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711483 175454137 CHEMBL2436206 ZINC96285528 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489663 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC2CCCCC2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C33H39BrN4O4/c1-21(35-2)32(40)36-27-20-37(31(39)17-22-9-5-4-6-10-22)28-11-7-8-12-29(28)38(33(27)41)19-26-25-15-14-24(34)18-23(25)13-16-30(26)42-3/h7-8,11-16,18,21-22,27,35H,4-6,9-10,17,19-20H2,1-3H3,(H,36,40)/t21-,27-/m0/s1 HOWYCYQWHUQOKN-IDISGSTGSA-N 243153 US10053431, 13i E3 ubiquitin-protein ligase XIAP [124-240] 78.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243153&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076592 376221541 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489665 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)C(C)(C)C)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C37H39BrN4O5/c1-22(39-5)34(44)40-29-21-42(35(45)24-13-11-23(12-14-24)33(43)37(2,3)4)31-10-8-7-9-30(31)41(36(29)46)20-28-27-17-16-26(38)19-25(27)15-18-32(28)47-6/h7-19,22,29,39H,20-21H2,1-6H3,(H,40,44)/t22-,29-/m0/s1 MUQICRLQVBPRHX-ZTOMLWHTSA-N 243154 US10053431, 13j E3 ubiquitin-protein ligase XIAP [124-240] 37.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243154&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076815 376221542 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489667 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(O)(O)C(F)(F)F)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C34H32BrF3N4O6/c1-19(39-2)30(43)40-26-18-42(31(44)20-8-11-22(12-9-20)33(46,47)34(36,37)38)28-7-5-4-6-27(28)41(32(26)45)17-25-24-14-13-23(35)16-21(24)10-15-29(25)48-3/h4-16,19,26,39,46-47H,17-18H2,1-3H3,(H,40,43)/t19-,26-/m0/s1 IWJPRIOMVNDBCD-SIBVEZHUSA-N 243155 US10053431, 13k E3 ubiquitin-protein ligase XIAP [124-240] 25.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243155&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076878 376221543 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489669 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(c2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C34H33BrN4O5/c1-20(36-3)32(41)37-28-19-39(33(42)24-9-7-8-22(16-24)21(2)40)30-11-6-5-10-29(30)38(34(28)43)18-27-26-14-13-25(35)17-23(26)12-15-31(27)44-4/h5-17,20,28,36H,18-19H2,1-4H3,(H,37,41)/t20-,28-/m0/s1 IVEUPPZQAPDURZ-MMTVBGGISA-N 243156 US10053431, 13l E3 ubiquitin-protein ligase XIAP [124-240] 67.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243156&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076580 376221544 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489671 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)[N+]([O-])=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C32H30BrN5O6/c1-19(34-2)30(39)35-26-18-37(31(40)20-8-12-23(13-9-20)38(42)43)28-7-5-4-6-27(28)36(32(26)41)17-25-24-14-11-22(33)16-21(24)10-15-29(25)44-3/h4-16,19,26,34H,17-18H2,1-3H3,(H,35,39)/t19-,26-/m0/s1 MPBAYUHXOUYQBZ-SIBVEZHUSA-N 50441812 CHEMBL2436207::US10053431, 13m E3 ubiquitin-protein ligase XIAP [124-240] 35.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441812&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711485 175454129 CHEMBL2436207 ZINC96285520 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489673 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCC[N+]([O-])=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C29H32BrN5O6/c1-18(31-2)28(37)32-23-17-33(27(36)9-6-14-35(39)40)24-7-4-5-8-25(24)34(29(23)38)16-22-21-12-11-20(30)15-19(21)10-13-26(22)41-3/h4-5,7-8,10-13,15,18,23,31H,6,9,14,16-17H2,1-3H3,(H,32,37)/t18-,23-/m0/s1 QJQMISPLQCHSJK-MBSDFSHPSA-N 243158 US10053431, 13n E3 ubiquitin-protein ligase XIAP [124-240] 91.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243158&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076613 376221545 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489675 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C35H35BrN4O5/c1-21(37-3)34(43)38-29-20-39(33(42)17-23-9-11-24(12-10-23)22(2)41)30-7-5-6-8-31(30)40(35(29)44)19-28-27-15-14-26(36)18-25(27)13-16-32(28)45-4/h5-16,18,21,29,37H,17,19-20H2,1-4H3,(H,38,43)/t21-,29-/m0/s1 XMPOAIGUDMFLDI-LGGPFLRQSA-N 243159 US10053431, 13o E3 ubiquitin-protein ligase XIAP [124-240] 28.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243159&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076843 376221546 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489677 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C33H30BrN5O4/c1-20(36-2)31(40)37-27-19-39(32(41)22-10-8-21(17-35)9-11-22)29-7-5-4-6-28(29)38(33(27)42)18-26-25-14-13-24(34)16-23(25)12-15-30(26)43-3/h4-16,20,27,36H,18-19H2,1-3H3,(H,37,40)/t20-,27-/m0/s1 QIVSDYYFNPWSEF-DCFHFQCYSA-N 243109 (2S)—N-[(3S)-5-[[6-bromo-2-(trideuteriomethoxy)-1-naphthyl]methyl]-1-(4-cyanobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-(methylamino)propanamide hydrochloride::US10053431, 13p::US10053431, 84 E3 ubiquitin-protein ligase XIAP [124-240] 22.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243109&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076961 376221497 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489679 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C37H43BrN4O4/c1-22(39-2)35(44)40-30-21-41(34(43)19-37-16-23-12-24(17-37)14-25(13-23)18-37)31-6-4-5-7-32(31)42(36(30)45)20-29-28-10-9-27(38)15-26(28)8-11-33(29)46-3/h4-11,15,22-25,30,39H,12-14,16-21H2,1-3H3,(H,40,44)/t22-,23?,24?,25?,30-,37?/m0/s1 VJWPAPXXAYSAMG-CCDDUJHJSA-N 243161 US10053431, 13q E3 ubiquitin-protein ligase XIAP [124-240] 92.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243161&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076947 376221547 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489681 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)OC)C1=O InChI=1S/C45H45N5O8/c1-27(46-2)42(52)48-37-25-49(41(51)21-22-47-45(55)58-26-36-33-13-7-5-11-31(33)32-12-6-8-14-34(32)36)38-15-9-10-16-39(38)50(43(37)53)24-35-30-19-17-29(44(54)57-4)23-28(30)18-20-40(35)56-3/h5-20,23,27,36-37,46H,21-22,24-26H2,1-4H3,(H,47,55)(H,48,52)/t27-,37-/m0/s1 GWKUSTCKPNGPPM-ZSQPVGNWSA-N 243162 US10053431, 13r E3 ubiquitin-protein ligase XIAP [124-240] 17.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243162&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077404 376221548 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489683 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O InChI=1S/C34H32F2N4O5/c1-20(37-3)31(42)38-27-19-40(32(43)24-14-12-22(13-15-24)21(2)41)29-11-7-6-10-28(29)39(33(27)44)18-26-25-9-5-4-8-23(25)16-17-30(26)45-34(35)36/h4-17,20,27,34,37H,18-19H2,1-3H3,(H,38,42)/t20-,27-/m0/s1 KWNFZHZGDAFIFB-DCFHFQCYSA-N 243163 US10053431, 69b::US10053431, 69n E3 ubiquitin-protein ligase XIAP [124-240] 26.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243163&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076623 376221549 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489685 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2cc(=O)oc3cc(OC)ccc23)C1=O InChI=1S/C33H32N4O7/c1-19(34-3)31(40)35-26-18-37(32(41)22-11-9-21(10-12-22)20(2)38)28-8-6-5-7-27(28)36(33(26)42)17-23-15-30(39)44-29-16-24(43-4)13-14-25(23)29/h5-16,19,26,34H,17-18H2,1-4H3,(H,35,40)/t19-,26-/m0/s1 OKXQCWANIDVLSR-SIBVEZHUSA-N 243164 US10053431, 69c E3 ubiquitin-protein ligase XIAP [124-240] 341 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243164&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076915 376221550 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489687 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2noc3ccccc23)C1=O InChI=1S/C30H29N5O5/c1-18(31-3)28(37)32-24-17-34(29(38)21-14-12-20(13-15-21)19(2)36)25-9-5-6-10-26(25)35(30(24)39)16-23-22-8-4-7-11-27(22)40-33-23/h4-15,18,24,31H,16-17H2,1-3H3,(H,32,37)/t18-,24-/m0/s1 CWPDYSFTIMRFCO-UUOWRZLLSA-N 243165 US10053431, 69d E3 ubiquitin-protein ligase XIAP [124-240] 12.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243165&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077234 376221551 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489689 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2noc3cc(Br)ccc23)C1=O InChI=1S/C30H28BrN5O5/c1-17(32-3)28(38)33-24-16-35(29(39)20-10-8-19(9-11-20)18(2)37)25-6-4-5-7-26(25)36(30(24)40)15-23-22-13-12-21(31)14-27(22)41-34-23/h4-14,17,24,32H,15-16H2,1-3H3,(H,33,38)/t17-,24-/m0/s1 VVIQSBJMQJDHMV-XDHUDOTRSA-N 243166 US10053431, 69e E3 ubiquitin-protein ligase XIAP [124-240] 49.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243166&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077208 376221552 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489691 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C34H33BrN4O5/c1-20(36-3)32(41)37-28-19-39(33(42)23-14-12-22(13-15-23)21(2)40)30-11-6-5-10-29(30)38(34(28)43)18-26-24-8-7-9-27(35)25(24)16-17-31(26)44-4/h5-17,20,28,36H,18-19H2,1-4H3,(H,37,41)/t20-,28-/m0/s1 FCBDCRIHHVUGDE-MMTVBGGISA-N 243167 US10053431, 69f::US10053431, 69m E3 ubiquitin-protein ligase XIAP [124-240] 7.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243167&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077140 376221553 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489693 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O InChI=1S/C34H34N4O5/c1-21(35-3)32(40)36-28-20-38(33(41)25-15-13-23(14-16-25)22(2)39)30-12-8-7-11-29(30)37(34(28)42)19-27-26-10-6-5-9-24(26)17-18-31(27)43-4/h5-18,21,28,35H,19-20H2,1-4H3,(H,36,40)/t21-,28-/m0/s1 FXHJEMSCMLSORJ-KMRXNPHXSA-N 243168 US10053431, 69g E3 ubiquitin-protein ligase XIAP [124-240] 11.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243168&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077263 376221554 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489695 C[C@H](N)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OCC(F)(F)F)ccc3ccccc23)C1=O InChI=1S/C34H31F3N4O5/c1-20(38)31(43)39-27-18-41(32(44)24-13-11-22(12-14-24)21(2)42)29-10-6-5-9-28(29)40(33(27)45)17-26-25-8-4-3-7-23(25)15-16-30(26)46-19-34(35,36)37/h3-16,20,27H,17-19,38H2,1-2H3,(H,39,43)/t20-,27-/m0/s1 PCLCZNAVFJDVBZ-DCFHFQCYSA-N 243169 US10053431, 69h E3 ubiquitin-protein ligase XIAP [124-240] 20.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243169&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076800 376221555 C03803 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489697 C[C@H](N)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O InChI=1S/C33H30F2N4O5/c1-19(36)30(41)37-26-18-39(31(42)23-13-11-21(12-14-23)20(2)40)28-10-6-5-9-27(28)38(32(26)43)17-25-24-8-4-3-7-22(24)15-16-29(25)44-33(34)35/h3-16,19,26,33H,17-18,36H2,1-2H3,(H,37,41)/t19-,26-/m0/s1 RDBLJXAPGCYLSN-SIBVEZHUSA-N 243170 US10053431, 69i E3 ubiquitin-protein ligase XIAP [124-240] 39.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243170&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077356 376221556 C03803 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489699 COc1ccc2c(CN3c4ccccc4N(C[C@H](NC(=O)[C@H](C)N)C3=O)C(=O)c3ccc(cc3)C(C)=O)cc(=O)oc2c1 InChI=1S/C32H30N4O7/c1-18(33)30(39)34-25-17-36(31(40)21-10-8-20(9-11-21)19(2)37)27-7-5-4-6-26(27)35(32(25)41)16-22-14-29(38)43-28-15-23(42-3)12-13-24(22)28/h4-15,18,25H,16-17,33H2,1-3H3,(H,34,39)/t18-,25-/m0/s1 HVVSZNGOPOXPIZ-BVZFJXPGSA-N 243171 US10053431, 69j E3 ubiquitin-protein ligase XIAP [124-240] 213 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243171&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076759 376221557 C03803 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489701 C[C@H](N)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2noc3ccccc23)C1=O InChI=1S/C29H27N5O5/c1-17(30)27(36)31-23-16-33(28(37)20-13-11-19(12-14-20)18(2)35)24-8-4-5-9-25(24)34(29(23)38)15-22-21-7-3-6-10-26(21)39-32-22/h3-14,17,23H,15-16,30H2,1-2H3,(H,31,36)/t17-,23-/m0/s1 BAOXXIQWSSOARZ-SBUREZEXSA-N 243172 US10053431, 69k E3 ubiquitin-protein ligase XIAP [124-240] 27.0 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243172&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118076682 376221558 C03803 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489703 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C34H33BrN4O5/c1-20(36-3)32(41)37-28-19-39(33(42)23-11-9-22(10-12-23)21(2)40)30-8-6-5-7-29(30)38(34(28)43)18-27-26-15-14-25(35)17-24(26)13-16-31(27)44-4/h5-17,20,28,36H,18-19H2,1-4H3,(H,37,41)/t20-,28-/m0/s1 VBKYKJZFJATBDB-MMTVBGGISA-N 50441820 CHEMBL2436206::US10053431, 69l E3 ubiquitin-protein ligase XIAP [124-240] 9.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441820&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 72711483 175454137 CHEMBL2436206 ZINC96285528 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 489705 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C34H33BrN4O5/c1-20(36-3)32(41)37-28-19-39(33(42)23-14-12-22(13-15-23)21(2)40)30-11-6-5-10-29(30)38(34(28)43)18-26-24-8-7-9-27(35)25(24)16-17-31(26)44-4/h5-17,20,28,36H,18-19H2,1-4H3,(H,37,41)/t20-,28-/m0/s1 FCBDCRIHHVUGDE-MMTVBGGISA-N 243167 US10053431, 69f::US10053431, 69m E3 ubiquitin-protein ligase XIAP [124-240] 7.00 7.5 25.00 C US Patent 10.7270/Q2W097X3 aid1795150 US10053431 Chen, S; Donnell, AF; Kester, RF; Le, K; Lou, Y; Michoud, C; Remiszewski, S; Rupert, KC; Weisel, M Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=243167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=243167&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 118077140 376221553 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822117 C[C@@H]1CN(CC(=O)N2CC(C)(C(=O)NCCNC(=O)C3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)c3ccc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 InChI=1S/C62H82F2N10O6/c1-41-31-71(51(29-67-41)33-69-21-23-79-37-43(69)3)35-57(75)73-39-61(5,53-17-11-47(27-55(53)73)25-45-7-13-49(63)14-8-45)59(77)65-19-20-66-60(78)62(6)40-74(56-28-48(12-18-54(56)62)26-46-9-15-50(64)16-10-46)58(76)36-72-32-42(2)68-30-52(72)34-70-22-24-80-38-44(70)4/h7-18,27-28,41-44,51-52,67-68H,19-26,29-40H2,1-6H3,(H,65,77)(H,66,78)/t41-,42-,43-,44-,51-,52-,61?,62?/m1/s1 VRGIZOAUSBZMJC-YTBOIHSISA-N 412164 US10398702, Example 3::tert-Butyl (2R,5S)-4-[2-[3-[2-[[1-[2-[(2S,5R)-4-tert-butoxycarbonyl-5-methyl-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]acetyl]-6-[(4-fluorophenyl)methyl]-3-methyl-indoline-3-carbonyl]amino]ethylcarbamoyl]-6-[(4-fluorophenyl)methyl]-3-methyl-indolin-1-yl]-2-oxo-ethyl]-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate E3 ubiquitin-protein ligase XIAP [124-240] >54200 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412164&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822137 CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C58H71F3N10O8/c1-34-28-69(43(26-63-34)30-68-19-22-79-32-35(68)2)31-50(73)71-33-58(4,45-16-11-38(24-48(45)71)23-37-9-13-41(59)14-10-37)57(77)64-27-49(72)65-42-15-12-40-29-70(53(44(40)25-42)55(75)67-52-46(60)7-6-8-47(52)61)56(76)51(39-17-20-78-21-18-39)66-54(74)36(3)62-5/h6-16,24-25,34-36,39,43,51,53,62-63H,17-23,26-33H2,1-5H3,(H,64,77)(H,65,72)(H,66,74)(H,67,75)/t34-,35-,36+,43-,51+,53+,58-/m1/s1 HOKHIOIWTNNVMY-JHJKZRHASA-N 412169 (3S)-N-[2-[[(3S)-3-[(2,6- difluorophenyl)carbamoyl]- 2-[(2S)-2-[[(2S)-2- (methylamino)propanoyl] amino]-2-(oxan-4-yl)acetyl]- 1,3-dihydroisoindol-5- yl]amino]-2-oxoethyl]-6-[(4- fluorophenyl)methyl]-3- methyl-1-[2-[(2R,5R)-5- methyl-2-[[(3R)-3- methylmorpholin-4- yl]methyl]piperazin-1- yl]acetyl]-2H-indole-3- carboxamide;trihydrochloride::US10398702, Example 8 E3 ubiquitin-protein ligase XIAP [124-240] 2.00 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412169&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822165 CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C56H68F3N9O7/c1-33-27-66(42(26-61-33)29-65-19-22-75-31-34(65)2)30-48(69)68-32-56(4,44-16-11-37(24-47(44)68)23-36-9-13-40(57)14-10-36)55(73)62-41-15-12-39-28-67(51(43(39)25-41)53(71)64-50-45(58)7-6-8-46(50)59)54(72)49(38-17-20-74-21-18-38)63-52(70)35(3)60-5/h6-16,24-25,33-35,38,42,49,51,60-61H,17-23,26-32H2,1-5H3,(H,62,73)(H,63,70)(H,64,71)/t33-,34-,35+,42-,49+,51+,56-/m1/s1 KKDIBMNGHOWFJB-RABBDSCGSA-N 412176 US10398702, Example 15::tert-Butyl (2R,5S)-4-[2-[(3S)-3-[[(3S)-2-[(2S)-2-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]propanoyl]amino]-2-tetrahydropyran-4-yl-acetyl]-3-[(2,6-difluorophenyl)carbamoyl]isoindolin-5-yl]carbamoyl]-6-[(4-fluorophenyl)methyl]-3-methyl-indolin-1-yl]-2-oxo-ethyl]-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate E3 ubiquitin-protein ligase XIAP [124-240] 3.80 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412176&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822177 CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CCCNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C60H75F3N10O8/c1-36-30-71(45(29-66-36)32-70-22-25-81-34-37(70)2)33-52(75)73-35-60(4,47-18-13-40(27-50(47)73)26-39-11-15-43(61)16-12-39)59(79)65-21-7-10-51(74)67-44-17-14-42-31-72(55(46(42)28-44)57(77)69-54-48(62)8-6-9-49(54)63)58(78)53(41-19-23-80-24-20-41)68-56(76)38(3)64-5/h6,8-9,11-18,27-28,36-38,41,45,53,55,64,66H,7,10,19-26,29-35H2,1-5H3,(H,65,79)(H,67,74)(H,68,76)(H,69,77)/t36-,37-,38+,45-,53+,55+,60-/m1/s1 YAEAYORFJSUSDR-FNAFXGOBSA-N 412179 US10398702, Example 18::tert-Butyl (2R,5S)-4-[2-[(3S)-3-[(4-benzyloxy-4-oxo-butyl)carbamoyl]-6-[(4-fluorophenyl)methyl]-3-methyl-indolin-1-yl]-2-oxo-ethyl]-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate E3 ubiquitin-protein ligase XIAP [124-240] 6.00 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412179&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822181 CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2cc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)ccc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C58H71F3N10O8/c1-34-28-69(43(26-63-34)30-68-19-22-79-32-35(68)2)31-50(73)71-33-58(4,45-16-11-38(24-48(45)71)23-37-9-12-41(59)13-10-37)57(77)64-27-49(72)65-42-14-15-44-40(25-42)29-70(53(44)55(75)67-52-46(60)7-6-8-47(52)61)56(76)51(39-17-20-78-21-18-39)66-54(74)36(3)62-5/h6-16,24-25,34-36,39,43,51,53,62-63H,17-23,26-33H2,1-5H3,(H,64,77)(H,65,72)(H,66,74)(H,67,75)/t34-,35-,36+,43-,51+,53+,58-/m1/s1 GQDXYVZPONPAQI-JHJKZRHASA-N 412180 US10398702, Example 19::tert-Butyl (2R,5S)-4-[2-[(3S)-3-[[2-[[(1S)-2-[(2S)-2-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]propanoyl]amino]-2-tetrahydropyran-4-yl-acetyl]-1-[(2,6-difluorophenyl)carbamoyl]isoindolin-5-yl]amino]-2-oxo-ethyl]carbamoyl]-6-[(4-fluorophenyl)methyl]-3-methyl-indolin-1-yl]-2-oxo-ethyl]-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate E3 ubiquitin-protein ligase XIAP [124-240] 11.0 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412180&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822189 CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1Cc2ccc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C57H71F3N10O7/c1-8-33(2)50(65-53(73)36(5)61-7)55(75)69-28-39-15-18-41(24-43(39)52(69)54(74)66-51-45(59)10-9-11-46(51)60)64-48(71)26-63-56(76)57(6)32-70(47-23-38(14-19-44(47)57)22-37-12-16-40(58)17-13-37)49(72)30-68-27-34(3)62-25-42(68)29-67-20-21-77-31-35(67)4/h9-19,23-24,33-36,42,50,52,61-62H,8,20-22,25-32H2,1-7H3,(H,63,76)(H,64,71)(H,65,73)(H,66,74)/t33-,34+,35+,36-,42+,50-,52-,57+/m0/s1 DWXWQLOMZHEBFQ-GSYKCJHXSA-N 412182 US10398702, Example 21::tert-Butyl (2R,5S)-4-[2-[(3S)-3-[[2-[[(3S)-2-[(2 S,3 S)-2-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]propanoyl]amino]-3-methyl-pentanoyl]-3-[(2,6-difluorophenyl)carbamoyl]isoindolin-5-yl]amino]-2-oxo-ethyl]carbamoyl]-6-[(4-fluorophenyl)methyl]-3-methyl-indolin-1-yl]-2-oxo-ethyl]-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate E3 ubiquitin-protein ligase XIAP [124-240] 4.00 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412182&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822141 CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CNC(=O)[C@@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C58H71F3N10O8/c1-34-28-69(43(26-63-34)30-68-19-22-79-32-35(68)2)31-50(73)71-33-58(4,45-16-11-38(24-48(45)71)23-37-9-13-41(59)14-10-37)57(77)64-27-49(72)65-42-15-12-40-29-70(53(44(40)25-42)55(75)67-52-46(60)7-6-8-47(52)61)56(76)51(39-17-20-78-21-18-39)66-54(74)36(3)62-5/h6-16,24-25,34-36,39,43,51,53,62-63H,17-23,26-33H2,1-5H3,(H,64,77)(H,65,72)(H,66,74)(H,67,75)/t34-,35-,36+,43-,51+,53+,58+/m1/s1 HOKHIOIWTNNVMY-UVOKZHRTSA-N 412170 (3R)-N-[2-[[(3S)-3-[(2,6- difluorophenyl)carbamoyl]- 2-[(2S)-2-[[(2S)-2- (methylamino)propanoyl] amino]-2-(oxan-4-yl)acetyl]- 1,3-dihydroisoindo1-5- yl]amino]-2-oxoethyl]-6-[(4- fluorophenyl)methyl]-3- methyl-1-[2-[(2R,5R)-5- methyl-2-[[(3R)-3- methylmorpholin-4- yl]methyl]piperazin-1- yl]acetyl]-2H-indole-3- carboxamide;trihydrochloride::US10398702, Example 9 E3 ubiquitin-protein ligase XIAP [124-240] 3.00 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412170&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822145 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C InChI=1S/C62H81FN10O7/c1-38-32-71(48(30-65-38)34-70-24-25-80-36-39(70)2)35-55(75)73-37-62(7,50-23-18-42(27-52(50)73)26-41-16-20-46(63)21-17-41)60(79)66-31-54(74)67-47-22-19-44-29-53(58(77)68-51-15-11-13-43-12-9-10-14-49(43)51)72(33-45(44)28-47)59(78)56(61(4,5)6)69-57(76)40(3)64-8/h9-10,12,14,16-23,27-28,38-40,48,51,53,56,64-65H,11,13,15,24-26,29-37H2,1-8H3,(H,66,79)(H,67,74)(H,68,77)(H,69,76)/t38-,39-,40+,48-,51-,53+,56-,62-/m1/s1 BJHUHNWTABFPGG-JBRJAVIZSA-N 412171 (3S)-2-[(2S)-3,3-dimethyl- 2-[[(2S)-2- (methylamino)propanoyl] amino]butanoyl]-7-[[2- [[(3S)-6-[(4- fluorophenyl)methyl]-3- methyl-1-[2-[(2R,5R)-5- methyl-2-[[(3R)-3- methylmorpholin-4- yl]methyl]piperazin-1- yl]acetyl]-2H-indole-3- carbonyl]amino]acetyl] amino]-N-[(1R)-1,2,3,4- tetrahydronaphthalen-1-yl]- 3,4-dihydro-1H- isoquinoline-3- carboxamide;trihydrochloride::US10398702, Example 10 E3 ubiquitin-protein ligase XIAP [124-240] 1260 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412171&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822209 C[C@@H]1CN(CC(=O)N2CC(C)(C(=O)Nc3ccc(cc3)C(O)=O)c3ccc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 InChI=1S/C37H44FN5O5/c1-24-19-42(31(18-39-24)20-41-14-15-48-22-25(41)2)21-34(44)43-23-37(3,36(47)40-30-11-7-28(8-12-30)35(45)46)32-13-6-27(17-33(32)43)16-26-4-9-29(38)10-5-26/h4-13,17,24-25,31,39H,14-16,18-23H2,1-3H3,(H,40,47)(H,45,46)/t24-,25-,31-,37?/m1/s1 GQRITZNZNCQQRA-IYLLWGTOSA-N 412187 4-(6-(4-fluorobenzyl)-3- methyl-1-(2-((2R,5R)-5- methyl-2-(((R)-3- methylmorpholino)methyl) piperazin-1- yl)acetyl)indoline-3- carboxamido)benzoic acid dihydrochloride::US10398702, Example D E3 ubiquitin-protein ligase XIAP [124-240] 42700 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412187&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822149 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)CNC(=O)[C@@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C InChI=1S/C62H81FN10O7/c1-38-32-71(48(30-65-38)34-70-24-25-80-36-39(70)2)35-55(75)73-37-62(7,50-23-18-42(27-52(50)73)26-41-16-20-46(63)21-17-41)60(79)66-31-54(74)67-47-22-19-44-29-53(58(77)68-51-15-11-13-43-12-9-10-14-49(43)51)72(33-45(44)28-47)59(78)56(61(4,5)6)69-57(76)40(3)64-8/h9-10,12,14,16-23,27-28,38-40,48,51,53,56,64-65H,11,13,15,24-26,29-37H2,1-8H3,(H,66,79)(H,67,74)(H,68,77)(H,69,76)/t38-,39-,40+,48-,51-,53+,56-,62+/m1/s1 BJHUHNWTABFPGG-CYLUITCRSA-N 412172 (3S)-2-[(2S)-3,3-dimethyl-2- [[(2S)-2- (methylamino)propanoyl] amino]butanoyl]-7-[[2- [[(3R)-6- [(4-fluorophenyl)methyl]-3- methyl-1-[2-[(2R,5R)-5- methyl-2-[[(3R)-3- methylmorpholin-4- yl]methyl]piperazin-1- yl]acetyl]-2H-indole-3- carbonyl]amino]acetyl] amino]-N-[(1R)-1,2,3,4- tetrahydronaphthalen-1-yl]- 3,4-dihydro-1H- isoquinoline-3- carboxamide;trihydrochloride::US10398702, Example 11 E3 ubiquitin-protein ligase XIAP [124-240] 1380 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412172&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822153 CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)[C@@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C56H68F3N9O7/c1-33-27-66(42(26-61-33)29-65-19-22-75-31-34(65)2)30-48(69)68-32-56(4,44-16-11-37(24-47(44)68)23-36-9-13-40(57)14-10-36)55(73)62-41-15-12-39-28-67(51(43(39)25-41)53(71)64-50-45(58)7-6-8-46(50)59)54(72)49(38-17-20-74-21-18-38)63-52(70)35(3)60-5/h6-16,24-25,33-35,38,42,49,51,60-61H,17-23,26-32H2,1-5H3,(H,62,73)(H,63,70)(H,64,71)/t33-,34-,35+,42-,49+,51+,56+/m1/s1 KKDIBMNGHOWFJB-QPVRNIJESA-N 412173 (R)-N-((S)-3-((2,6- difluorophenyl)carbamoyl)- 2-((S)-2-((S)-2- (methylamino)propanamido)- 2-(tetrahydro-2H-pyran-4- yl)acetyl)isoindolin-5-yl)-6- (4-fluorobenzyl)-3-methyl-1- (2-((2R,5R)-5-methyl-2- (((R)-3- methylmorpholino)methyl) piperazin-1- yl)acetyl)indoline-3- carboxamide trihydrochloride::US10398702, Example 12 E3 ubiquitin-protein ligase XIAP [124-240] 3.00 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412173&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822193 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F)C(C)(C)C InChI=1S/C57H71F3N10O7/c1-33-27-68(41(25-62-33)29-67-20-21-77-31-34(67)2)30-48(72)70-32-57(7,43-19-14-37(23-46(43)70)22-36-12-16-39(58)17-13-36)55(76)63-26-47(71)64-40-18-15-38-28-69(54(75)51(56(4,5)6)66-52(73)35(3)61-8)50(42(38)24-40)53(74)65-49-44(59)10-9-11-45(49)60/h9-19,23-24,33-35,41,50-51,61-62H,20-22,25-32H2,1-8H3,(H,63,76)(H,64,71)(H,65,74)(H,66,73)/t33-,34-,35+,41-,50+,51-,57-/m1/s1 IBZIIVISPQLELC-CEHVYTRKSA-N 412183 US10398702, Example 22::tert-Butyl (2R,5S)-4-[2-[(3S)-3-[[2-[[(3S)-2-[(2S)-2-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]propanoyl]amino]-3,3-dimethyl-butanoyl]-3-[(2,6-difluorophenyl)carbamoyl]isoindolin-5-yl]amino]-2-oxo-ethyl]carbamoyl]-6-[(4-fluorophenyl)methyl]-3-methyl-indolin-1-yl]-2-oxo-ethyl]-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate E3 ubiquitin-protein ligase XIAP [124-240] 3.00 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412183&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822169 CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(NC(=O)C2(C)CN(C(=O)CN3C[C@@H](C)NC[C@@H]3CN3CCOC[C@H]3C)c3cc(Cc4ccc(F)cc4)ccc23)cc1 InChI=1S/C63H74F2N10O8/c1-38-32-73(49(31-67-38)34-72-24-27-83-36-39(72)2)35-55(76)75-37-63(4,51-20-12-42(29-54(51)75)28-41-10-14-46(64)15-11-41)62(81)69-48-18-16-47(17-19-48)68-59(78)44-13-21-52(65)53(30-44)70-60(79)57-50-9-7-6-8-45(50)33-74(57)61(80)56(43-22-25-82-26-23-43)71-58(77)40(3)66-5/h6-21,29-30,38-40,43,49,56-57,66-67H,22-28,31-37H2,1-5H3,(H,68,78)(H,69,81)(H,70,79)(H,71,77)/t38-,39-,40+,49-,56+,57+,63?/m1/s1 CVZJCEWUSZWWLC-IKPIZQADSA-N 412177 N-(4-(4-fluoro-3-((S)-2-((S)- 2-((S)-2- (methylamino)propanamido)- 2-(tetrahydro-2H-pyran-4- yl)acetyl)isoindoline-1- carboxamido)benzamido) phenyl)-6-(4-fluorobenzyl)- 3-methyl-1-(2-((2R,5R)-5- methyl-2-(((R)-3- methylmorpholino)methyl) piperazin-1- yl)acetyl)indoline-3- carboxamide trihydrochloride::US10398702, Example 16 E3 ubiquitin-protein ligase XIAP [124-240] 34.0 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412177&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822185 CN[C@@H](C)C(=O)N[C@@H]([C@@H](C)OC)C(=O)N1Cc2ccc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C56H69F3N10O8/c1-32-26-67(41(24-61-32)28-66-19-20-77-30-33(66)2)29-48(71)69-31-56(5,43-18-13-37(22-46(43)69)21-36-11-15-39(57)16-12-36)55(75)62-25-47(70)63-40-17-14-38-27-68(54(74)49(35(4)76-7)64-52(72)34(3)60-6)51(42(38)23-40)53(73)65-50-44(58)9-8-10-45(50)59/h8-18,22-23,32-35,41,49,51,60-61H,19-21,24-31H2,1-7H3,(H,62,75)(H,63,70)(H,64,72)(H,65,73)/t32-,33-,34+,35-,41-,49+,51+,56-/m1/s1 GQJBERRGZSKOOZ-ZYKJTKOSSA-N 412181 (S)-N-(2-(((S)-3-((2,6- difluorophenyl)carbamoyl)- 2-((2S,3R)-3-methoxy-2- ((S)-2- (methylamino)propanamido) butanoyl)isoindolin-5- yl)amino)-2-oxoethyl)-6-(4- fluorobenzyl)-3-methyl-1-(2- ((2R,5R)-5-methyl-2-(((R)- 3-methylmorpholino)methyl) piperazin-1- yl)acetyl)indoline-3- carboxamide trihydrochloride::US10398702, Example 20 E3 ubiquitin-protein ligase XIAP [124-240] 4.00 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412181&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822213 C[C@@H]1CN(CC(=O)N2CC(C)(C(=O)NCC(O)=O)c3ccc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 InChI=1S/C32H42FN5O5/c1-21-16-37(26(14-34-21)17-36-10-11-43-19-22(36)2)18-29(39)38-20-32(3,31(42)35-15-30(40)41)27-9-6-24(13-28(27)38)12-23-4-7-25(33)8-5-23/h4-9,13,21-22,26,34H,10-12,14-20H2,1-3H3,(H,35,42)(H,40,41)/t21-,22-,26-,32?/m1/s1 WQMGHGPQSDYHHQ-FIMFUJOFSA-N 412188 2-(6-(4-fluorobenzyl)-3- methyl-1-(2-((2R,5R)-5- methyl-2-(((R)-3- methylmorpholino)methyl) piperazin-1- yl)acetyl)indoline-3- carboxamido)acetic acid dihydrochloride::US10398702, Example E E3 ubiquitin-protein ligase XIAP [124-240] 42700 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412188&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822197 C[C@@H]1CN(CC(=O)N2CC(C)(C(=O)NCCN)c3ccc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 InChI=1S/C32H45FN6O3/c1-22-17-38(27(16-36-22)18-37-12-13-42-20-23(37)2)19-30(40)39-21-32(3,31(41)35-11-10-34)28-9-6-25(15-29(28)39)14-24-4-7-26(33)8-5-24/h4-9,15,22-23,27,36H,10-14,16-21,34H2,1-3H3,(H,35,41)/t22-,23-,27-,32?/m1/s1 LQOKEIHVFLUEOJ-HBIGZJEKSA-N 412184 N-(2-aminoethyl)-6-(4- fluorobenzyl)-3-methyl-1- (2-((2R,5R)-5-methyl-2- (((R)-3- methylmorpholino)methyl) piperazin-1- yl)acetyl)indoline-3- carboxamide dihydrochloride::US10398702, Example A E3 ubiquitin-protein ligase XIAP [124-240] >54200 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412184&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822201 C[C@@H]1CN(CC(=O)N2C[C@@](C)(C(O)=O)c3ccc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 InChI=1S/C30H39FN4O4/c1-20-15-34(25(14-32-20)16-33-10-11-39-18-21(33)2)17-28(36)35-19-30(3,29(37)38)26-9-6-23(13-27(26)35)12-22-4-7-24(31)8-5-22/h4-9,13,20-21,25,32H,10-12,14-19H2,1-3H3,(H,37,38)/t20-,21-,25-,30-/m1/s1 AEKQSNLWAKMPDL-NITIVINISA-N 412185 (S)-6-(4-fluorobenzyl)-3- methyl-1-(2-((2R,5R)-5- methyl-2-(((R)-3- methylmorpholino)methyl) piperazin-1- yl)acetyl)indoline-3- carboxylic acid dihydrochloride::US10398702, Example B E3 ubiquitin-protein ligase XIAP [124-240] >54200 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412185&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822205 C[C@@H]1CN(CC(=O)N2CC(C)(CO)c3ccc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 InChI=1S/C30H41FN4O3/c1-21-15-34(26(14-32-21)16-33-10-11-38-18-22(33)2)17-29(37)35-19-30(3,20-36)27-9-6-24(13-28(27)35)12-23-4-7-25(31)8-5-23/h4-9,13,21-22,26,32,36H,10-12,14-20H2,1-3H3/t21-,22-,26-,30?/m1/s1 VHDDFOLGLBDAEY-FRJRRQFFSA-N 412186 1-(6-(4-fluorobenzyl)-3- (hydroxymethyl)-3- methylindolin-1-yl)-2- ((2R,5R)-5-methyl-2-(((R)- 3-methylmorpholino)methyl) piperazin-1-yl)ethanone dihydrochloride::US10398702, Example C E3 ubiquitin-protein ligase XIAP [124-240] >54200 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412186&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822109 CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)C3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C56H68F3N9O7/c1-33-27-66(42(26-61-33)29-65-19-22-75-31-34(65)2)30-48(69)68-32-56(4,44-16-11-37(24-47(44)68)23-36-9-13-40(57)14-10-36)55(73)62-41-15-12-39-28-67(51(43(39)25-41)53(71)64-50-45(58)7-6-8-46(50)59)54(72)49(38-17-20-74-21-18-38)63-52(70)35(3)60-5/h6-16,24-25,33-35,38,42,49,51,60-61H,17-23,26-32H2,1-5H3,(H,62,73)(H,63,70)(H,64,71)/t33-,34-,35+,42-,49+,51+,56?/m1/s1 KKDIBMNGHOWFJB-TZDRKILZSA-N 412162 N-((S)-3-((2,6- difluorophenyl)carbamoyl)- 2-((S)-2-((S)-2- (methylamino)propanamido)- 2-(tetrahydro-2H-pyran-4- yl)acetyl)isoindolin-5-yl)-6- (4-fluorobenzyl)-3-methyl-1- (2-((2R,5R)-5-methyl-2- (((R)-3- methylmorpholino)methyl) piperazin-1- yl)acetyl)indoline-3- carboxamide trihydrochloride::US10398702, Example 1 E3 ubiquitin-protein ligase XIAP [124-240] 7.00 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412162&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822113 CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CNC(=O)C3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C58H71F3N10O8/c1-34-28-69(43(26-63-34)30-68-19-22-79-32-35(68)2)31-50(73)71-33-58(4,45-16-11-38(24-48(45)71)23-37-9-13-41(59)14-10-37)57(77)64-27-49(72)65-42-15-12-40-29-70(53(44(40)25-42)55(75)67-52-46(60)7-6-8-47(52)61)56(76)51(39-17-20-78-21-18-39)66-54(74)36(3)62-5/h6-16,24-25,34-36,39,43,51,53,62-63H,17-23,26-33H2,1-5H3,(H,64,77)(H,65,72)(H,66,74)(H,67,75)/t34-,35-,36+,43-,51+,53+,58?/m1/s1 HOKHIOIWTNNVMY-SJHREDNESA-N 412163 N-(2-(((S)-3-((2,6- difluorophenyl)carbamoyl)- 2-((S)-2-((S)-2- (methylamino)propanamido)- 2-(tetrahydro-2H-pyran-4- yl)acetyl)isoindolin-5- yl)amino)-2-oxoethyl)-6-(4- fluorobenzyl)-3-methyl-1-(2- ((2R,5R)-5-methyl-2-(((R)-3- methylmorpholino)methyl) piperazin-1- yl)acetyl)indoline-3- carboxamide trihydrochloride::US10398702, Example 2 E3 ubiquitin-protein ligase XIAP [124-240] 6.00 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412163&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822121 CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)c3ccc(NC(=O)C4(C)CN(C(=O)CN5C[C@@H](C)NC[C@@H]5CN5CCOC[C@H]5C)c5cc(Cc6ccc(F)cc6)ccc45)cc3)cc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C63H73F3N10O8/c1-37-31-74(48(30-68-37)33-73-23-26-84-35-38(73)2)34-54(77)76-36-63(4,50-20-11-41(28-53(50)76)27-40-9-15-45(64)16-10-40)62(82)70-46-17-12-43(13-18-46)59(79)69-47-19-14-44-32-75(57(49(44)29-47)60(80)72-56-51(65)7-6-8-52(56)66)61(81)55(42-21-24-83-25-22-42)71-58(78)39(3)67-5/h6-20,28-29,37-39,42,48,55,57,67-68H,21-27,30-36H2,1-5H3,(H,69,79)(H,70,82)(H,71,78)(H,72,80)/t37-,38-,39+,48-,55+,57+,63?/m1/s1 YAZQOISVPGFMGA-JCSBTUTESA-N 412165 N-(4-(((S)-3-((2,6- difluorophenyl)carbamoyl)- 2-((S)-2-((S)-2- (methylamino)propanamido)- 2-(tetrahydro-2H-pyran-4- yl)acetyl)isoindolin-5- yl)carbamoyl)phenyl)-6-(4- fluorobenzyl)-3-methyl-1-(2- ((2R,5R)-5-methyl-2-(((R)-3- methylmorpholino)methyl) piperazin-1- yl)acetyl)indoline-3- carboxamide trihydrochloride::US10398702, Example 4 E3 ubiquitin-protein ligase XIAP [124-240] 5.00 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412165&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822125 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)C3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)ccc2CC1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C InChI=1S/C60H78FN9O6/c1-37-31-68(47(30-63-37)33-67-24-25-76-35-38(67)2)34-53(71)70-36-60(7,49-23-18-41(27-51(49)70)26-40-16-20-45(61)21-17-40)58(75)64-46-22-19-43-29-52(56(73)65-50-15-11-13-42-12-9-10-14-48(42)50)69(32-44(43)28-46)57(74)54(59(4,5)6)66-55(72)39(3)62-8/h9-10,12,14,16-23,27-28,37-39,47,50,52,54,62-63H,11,13,15,24-26,29-36H2,1-8H3,(H,64,75)(H,65,73)(H,66,72)/t37-,38-,39+,47-,50-,52?,54-,60?/m1/s1 QICFHBQZRMLUEQ-OAYQEPMQSA-N 412166 (3S)-2-((S)-3,3-dimethyl-2- ((S)-2- (methylamino)propanamido) butanoyl)-7-(6-(4- fluorobenzyl)-3-methyl-1-(2- ((2R,5R)-5-methyl-2-(((R)- 3-methylmorpholino)methyl) piperazin-1- yl)acetypindoline-3- carboxamido)-N-((R)- 1,2,3,4-tetrahydronaphthalen- 1-yl)-1,2,3,4- tetrahydroisoquinoline-3- carboxamide trihydrochloride::US10398702, Example 5 E3 ubiquitin-protein ligase XIAP [124-240] 1510 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412166&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822157 CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2cc(NC(=O)CNC(=O)C3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)ccc2C[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C59H73F3N10O8/c1-35-29-70(45(27-64-35)31-69-19-22-80-33-36(69)2)32-52(74)72-34-59(4,46-16-11-39(24-49(46)72)23-38-9-13-43(60)14-10-38)58(78)65-28-51(73)66-44-15-12-41-26-50(56(76)68-54-47(61)7-6-8-48(54)62)71(30-42(41)25-44)57(77)53(40-17-20-79-21-18-40)67-55(75)37(3)63-5/h6-16,24-25,35-37,40,45,50,53,63-64H,17-23,26-34H2,1-5H3,(H,65,78)(H,66,73)(H,67,75)(H,68,76)/t35-,36-,37+,45-,50+,53+,59?/m1/s1 NWNOURIQTQGEHG-SHVDBAOHSA-N 412174 US10398702, Example 13::tert-Butyl (2R,5S)-4-[2-[3-[[2-[[(3S)-2-[(2S)-2-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]propanoyl]amino]-2-tetrahydropyran-4-yl-acetyl]-3-[(2,6-difluorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-2-oxo-ethyl]carbamoyl]-6-[(4-fluorophenyl)methyl]-3-methyl-indolin-1-yl]-2-oxo-ethyl]-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate E3 ubiquitin-protein ligase XIAP [124-240] 48.0 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412174&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822161 CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cc(ccc1F)C(=O)NCCNC(=O)C1(C)CN(C(=O)CN2C[C@@H](C)NC[C@@H]2CN2CCOC[C@H]2C)c2cc(Cc3ccc(F)cc3)ccc12 InChI=1S/C59H74F2N10O8/c1-36-30-69(45(29-65-36)32-68-22-25-79-34-37(68)2)33-51(72)71-35-59(4,47-16-12-40(27-50(47)71)26-39-10-14-44(60)15-11-39)58(77)64-21-20-63-55(74)42-13-17-48(61)49(28-42)66-56(75)53-46-9-7-6-8-43(46)31-70(53)57(76)52(41-18-23-78-24-19-41)67-54(73)38(3)62-5/h6-17,27-28,36-38,41,45,52-53,62,65H,18-26,29-35H2,1-5H3,(H,63,74)(H,64,77)(H,66,75)(H,67,73)/t36-,37-,38+,45-,52+,53+,59?/m1/s1 MEKZNRWBMMUXCT-FJHMUCPTSA-N 412175 N-(2-(4-fluoro-3-((S)-2-((S)- 2-((S)-2- (methylamino)propanamido)- 2-(tetrahydro-2H-pyran-4- yl)acetyl)isoindoline-1- carboxamido)benzamido) ethyl)-6-(4-fluorobenzyl)-3- methyl-1-(2-((2R,5R)-5- methyl-2-(((R)-3- methylmorpholino)methyl) piperazin-1- yl)acetyl)indoline-3- carboxamide dihydrochloride::US10398702, Example 14 E3 ubiquitin-protein ligase XIAP [124-240] 36.0 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412175&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822129 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)CNC(=O)C3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C InChI=1S/C62H81FN10O7/c1-38-32-71(48(30-65-38)34-70-24-25-80-36-39(70)2)35-55(75)73-37-62(7,50-23-18-42(27-52(50)73)26-41-16-20-46(63)21-17-41)60(79)66-31-54(74)67-47-22-19-44-29-53(58(77)68-51-15-11-13-43-12-9-10-14-49(43)51)72(33-45(44)28-47)59(78)56(61(4,5)6)69-57(76)40(3)64-8/h9-10,12,14,16-23,27-28,38-40,48,51,53,56,64-65H,11,13,15,24-26,29-37H2,1-8H3,(H,66,79)(H,67,74)(H,68,77)(H,69,76)/t38-,39-,40+,48-,51-,53+,56-,62?/m1/s1 BJHUHNWTABFPGG-LNFVYUFUSA-N 412167 (3S)-2-((S)-3,3-dimethyl- 2-((S)-2- (methylamino)propanamido) butanoyl)-7-(2-(6-(4- fluorobenzyl)-3-methyl-1- (2-((2R,5R)-5-methyl-2- (((R)-3 methylmorpholino)methyl) piperazin-1-yl)acetyl)indoline- 3-carboxamido)acetamido)- N-((R)-1,2,3,4- tetrahydronaphthalen-1- yl)-1,2,3,4- tetrahydroisoquinoline-3- carboxamide trihydrochloride::US10398702, Example 6 E3 ubiquitin-protein ligase XIAP [124-240] 1640 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412167&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822133 CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CC(=O)NCCCC3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C61H77F3N10O8/c1-37-31-72(46(30-67-37)33-71-22-25-82-35-38(71)2)34-54(77)74-36-61(4,48-17-12-41(27-51(48)74)26-40-10-14-44(62)15-11-40)20-7-21-66-52(75)29-53(76)68-45-16-13-43-32-73(57(47(43)28-45)59(79)70-56-49(63)8-6-9-50(56)64)60(80)55(42-18-23-81-24-19-42)69-58(78)39(3)65-5/h6,8-17,27-28,37-39,42,46,55,57,65,67H,7,18-26,29-36H2,1-5H3,(H,66,75)(H,68,76)(H,69,78)(H,70,79)/t37-,38-,39+,46-,55+,57+,61?/m1/s1 ZRZQYEMQDXBPFV-RNMKPMEYSA-N 412168 N1-((S)-3-((2,6- difluorophenyl)carbamoyl)-2- ((S)-2-((S)-2- (methylamino)propanamido)- 2-(tetrahydro-2H-pyran-4- yl)acetypisoindolin-5-yl)-N3- (3-(6-(4-fluorobenzyl)-3- methyl-1-(2-((2R,5R)-5- methyl-2(((R)-3- methylmorpholino)methyl) piperazin-1-yl)acetypindolin- 3-yl)propyl)malonamide trihydrochloride::US10398702, Example 7 E3 ubiquitin-protein ligase XIAP [124-240] 8.00 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412168&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 822173 CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)CCNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C59H73F3N10O8/c1-35-29-70(44(28-65-35)31-69-21-24-80-33-36(69)2)32-51(74)72-34-59(4,46-16-11-39(26-49(46)72)25-38-9-13-42(60)14-10-38)58(78)64-20-17-50(73)66-43-15-12-41-30-71(54(45(41)27-43)56(76)68-53-47(61)7-6-8-48(53)62)57(77)52(40-18-22-79-23-19-40)67-55(75)37(3)63-5/h6-16,26-27,35-37,40,44,52,54,63,65H,17-25,28-34H2,1-5H3,(H,64,78)(H,66,73)(H,67,75)(H,68,76)/t35-,36-,37+,44-,52+,54+,59-/m1/s1 MPHZACABYPVWIA-VGWQXMOOSA-N 412178 US10398702, Example 17::tert-Butyl N-[(1 S)-2-[[(1 S)-2-[(1 S)-5-[3-(benzylamino)propanoylamino]-1-[(2,6-difluorophenyl)carbamoyl]isoindolin-2-yl]-2-oxo-1-tetrahydropyran-4-yl-ethyl]amino]-1-methyl-2-oxo-ethyl]-N-methyl-carbamate E3 ubiquitin-protein ligase XIAP [124-240] 6.00 US Patent 10.7270/Q2VH5R67 aid1803784 US10398702 Flohr, A; Galley, G; Norcross, R; Zorn, N Hoffmann-La Roche Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=412178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=403&target=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=412178&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B124-240%5D&column=ki&startPg=0&Increment=50&submit=Search 1 RDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNLNIRSE 1C9Q,1I3O,4J3Y,4J44,4J45,4J46,4J47,4J48,4KJU,4KJV E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14