Compile Data Set for Download or QSAR

Found 581 hits of ic50 for UniProtKB: Q13489   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425719 (CHEMBL2316217) Show SMILES CCO[C@@H]1C[C@@H]2CN([C@@H](CN2C1)C(=O)N[C@@H]1CCOc2ccccc12)C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C31H45F2N5O5/c1-4-42-22-15-21-16-38(30(41)27(36-28(39)19(2)34-3)20-9-12-31(32,33)13-10-20)25(18-37(21)17-22)29(40)35-24-11-14-43-26-8-6-5-7-23(24)26/h5-8,19-22,24-25,27,34H,4,9-18H2,1-3H3,(H,35,40)(H,36,39)/t19-,21+,22+,24+,25-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425721 (CHEMBL2311586) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)N1C[C@H]2CC(F)(F)CN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H39F4N5O4/c1-17(34-2)25(39)36-24(18-7-10-28(30,31)11-8-18)27(41)38-14-19-13-29(32,33)16-37(19)15-22(38)26(40)35-21-9-12-42-23-6-4-3-5-20(21)23/h3-6,17-19,21-22,24,34H,7-16H2,1-2H3,(H,35,40)(H,36,39)/t17-,19+,21+,22-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312968 (US9605022, Example 3) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(CCC[C@@H](NC(=O)[C@H](Cc4ccc5ccccc5c4)NC(=O)[C@@H]4[C@@H](CCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc4cn(CCC[C@@H](NC(=O)[C@H](Cc5ccc6ccccc6c5)NC(=O)[C@@H]12)C(O)=O)nn4)C(O)=O)nn3)C(C)(C)C |r| Show InChI InChI=1S/C72H96N16O14/c1-41(73-9)61(89)79-59(71(3,4)5)67(95)87-31-27-55-57(87)65(93)77-53(35-43-23-25-45-17-11-13-19-47(45)33-43)63(91)75-51(69(97)98)21-15-30-86-38-50(82-84-86)40-102-56-28-32-88(68(96)60(72(6,7)8)80-62(90)42(2)74-10)58(56)66(94)78-54(36-44-24-26-46-18-12-14-20-48(46)34-44)64(92)76-52(70(99)100)22-16-29-85-37-49(39-101-55)81-83-85/h11-14,17-20,23-26,33-34,37-38,41-42,51-60,73-74H,15-16,21-22,27-32,35-36,39-40H2,1-10H3,(H,75,91)(H,76,92)(H,77,93)(H,78,94)(H,79,89)(H,80,90)(H,97,98)(H,99,100)/t41-,42-,51+,52+,53-,54-,55+,56+,57-,58-,59+,60+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIA...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312982 (US9605022, Example 15) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@H](C(=O)OC)c3ccc(OCc4cn2nn4)cc3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C#N)C(C)(C)C |r| Show InChI InChI=1S/C80H95N17O12/c1-46(82-9)70(98)88-68(79(3,4)5)76(104)94-34-32-63-66(94)74(102)85-61(39-49-20-24-51-16-12-14-18-54(51)36-49)72(100)84-56(41-81)38-48-22-28-59(29-23-48)108-44-57-42-96(92-90-57)64-33-35-95(77(105)69(80(6,7)8)89-71(99)47(2)83-10)67(64)75(103)86-62(40-50-21-25-52-17-13-15-19-55(52)37-50)73(101)87-65(78(106)107-11)53-26-30-60(31-27-53)109-45-58-43-97(63)93-91-58/h12-31,36-37,42-43,46-47,56,61-69,82-83H,32-35,38-40,44-45H2,1-11H3,(H,84,100)(H,85,102)(H,86,103)(H,87,101)(H,88,98)(H,89,99)/t46-,47-,56-,61-,62-,63+,64+,65-,66?,67-,68+,69+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIA...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312990 (US9605022, Example 19) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)c2nc(=O)o[nH]2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIA...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425728 (CHEMBL2365533) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H43N5O4/c1-19(30-2)27(35)32-26(20-9-4-3-5-10-20)29(37)34-17-21-11-8-15-33(21)18-24(34)28(36)31-23-14-16-38-25-13-7-6-12-22(23)25/h6-7,12-13,19-21,23-24,26,30H,3-5,8-11,14-18H2,1-2H3,(H,31,36)(H,32,35)/t19-,21+,23+,24-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425722 (CHEMBL2316215) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)N1C[C@@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H41F2N5O4/c1-18(32-2)26(37)34-25(19-9-12-29(30,31)13-10-19)28(39)36-16-20-6-5-14-35(20)17-23(36)27(38)33-22-11-15-40-24-8-4-3-7-21(22)24/h3-4,7-8,18-20,22-23,25,32H,5-6,9-17H2,1-2H3,(H,33,38)(H,34,37)/t18-,20-,22+,23-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425725 (CHEMBL2316224) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C29H37N5O4/c1-19(30-2)27(35)32-26(20-9-4-3-5-10-20)29(37)34-17-21-11-8-15-33(21)18-24(34)28(36)31-23-14-16-38-25-13-7-6-12-22(23)25/h3-7,9-10,12-13,19,21,23-24,26,30H,8,11,14-18H2,1-2H3,(H,31,36)(H,32,35)/t19-,21+,23+,24-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425730 (CHEMBL2316219) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C30H45N5O3/c1-20(31-2)28(36)33-27(22-11-4-3-5-12-22)30(38)35-18-23-14-9-17-34(23)19-26(35)29(37)32-25-16-8-13-21-10-6-7-15-24(21)25/h6-7,10,15,20,22-23,25-27,31H,3-5,8-9,11-14,16-19H2,1-2H3,(H,32,37)(H,33,36)/t20-,23+,25+,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50112346 (CHEMBL3609325) Show SMILES [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCCCC2)cc3)C(O)=O)cc1)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C83H106N14O14S/c1-49(84-9)73(98)90-71(82(3,4)5)79(104)95-45-55-17-15-16-36-110-62-30-24-51(25-31-62)39-67(81(106)107)88-75(100)65(40-53-22-28-56-18-11-13-20-58(56)37-53)86-78(103)69-44-61(47-96(69)80(105)72(83(6,7)8)91-74(99)50(2)85-10)97-46-60(92-94-97)48-111-63-32-26-52(27-33-63)43-70(93-112(108,109)64-34-35-64)89-76(101)66(87-77(102)68(95)42-55)41-54-23-29-57-19-12-14-21-59(57)38-54/h11-14,18-33,37-38,46,49-50,55,61,64-72,84-85,93H,15-17,34-36,39-45,47-48H2,1-10H3,(H,86,103)(H,87,102)(H,88,100)(H,89,101)(H,90,98)(H,91,99)(H,106,107)/t49-,50-,55-,61-,65-,66-,67-,68-,69-,70+,71+,72+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research Curated by ChEMBL					Assay Description Inhibition of cIAP BIR2-3 domain (unknown origin)				ACS Med Chem Lett 6: 770-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00091 BindingDB Entry DOI: 10.7270/Q29P33D2
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50071821 (CHEMBL3410872 | US9783573, Example 6) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C57H78N10O8/c1-32(58-9)48(68)64-46(56(3,4)5)54(74)66-30-37-27-38(26-25-36(37)28-44(66)50(70)62-42-23-15-19-34-17-11-13-21-40(34)42)60-52(72)53(73)61-39-29-45(51(71)63-43-24-16-20-35-18-12-14-22-41(35)43)67(31-39)55(75)47(57(6,7)8)65-49(69)33(2)59-10/h11-14,17-18,21-22,25-27,32-33,39,42-47,58-59H,15-16,19-20,23-24,28-31H2,1-10H3,(H,60,72)(H,61,73)(H,62,70)(H,63,71)(H,64,68)(H,65,69)/t32-,33-,39-,42+,43+,44-,45-,46+,47+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50030280 (CHEMBL3339214 | US9783573, Example 10) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C63H82N10O8/c1-36(64-9)54(74)70-52(62(3,4)5)60(80)72-34-43-31-44(30-29-42(43)32-50(72)58(78)68-48-23-15-19-38-17-11-13-21-46(38)48)66-56(76)40-25-27-41(28-26-40)57(77)67-45-33-51(59(79)69-49-24-16-20-39-18-12-14-22-47(39)49)73(35-45)61(81)53(63(6,7)8)71-55(75)37(2)65-10/h11-14,17-18,21-22,25-31,36-37,45,48-53,64-65H,15-16,19-20,23-24,32-35H2,1-10H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,70,74)(H,71,75)/t36-,37-,45-,48+,49+,50-,51-,52+,53+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312988 (US9605022, Example 17) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)c2nc(=S)o[nH]2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIA...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425724 (CHEMBL2316213) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H41F2N5O4/c1-18(32-2)26(37)34-25(19-9-12-29(30,31)13-10-19)28(39)36-16-20-6-5-14-35(20)17-23(36)27(38)33-22-11-15-40-24-8-4-3-7-21(22)24/h3-4,7-8,18-20,22-23,25,32H,5-6,9-17H2,1-2H3,(H,33,38)(H,34,37)/t18-,20+,22+,23-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425723 (CHEMBL2316214) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C28H41N5O5/c1-18(29-2)26(34)31-25(19-9-13-37-14-10-19)28(36)33-16-20-6-5-12-32(20)17-23(33)27(35)30-22-11-15-38-24-8-4-3-7-21(22)24/h3-4,7-8,18-20,22-23,25,29H,5-6,9-17H2,1-2H3,(H,30,35)(H,31,34)/t18-,20+,22+,23-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345152 (US9783573, Example 2) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2CN([C@@H](Cc2c1)C(=O)NC1CCCc2ccccc12)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C63H82N10O8/c1-36(64-9)54(74)70-52(62(3,4)5)60(80)72-34-42-29-30-44(31-43(42)32-50(72)58(78)68-48-23-15-19-38-17-11-13-21-46(38)48)66-56(76)40-25-27-41(28-26-40)57(77)67-45-33-51(59(79)69-49-24-16-20-39-18-12-14-22-47(39)49)73(35-45)61(81)53(63(6,7)8)71-55(75)37(2)65-10/h11-14,17-18,21-22,25-31,36-37,45,48-53,64-65H,15-16,19-20,23-24,32-35H2,1-10H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,70,74)(H,71,75)/t36-,37-,45?,48?,49?,50-,51-,52+,53+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345175 ((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) pro...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(CNC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)nc1)C(C)(C)C Show InChI InChI=1S/C63H83N11O8/c1-36(64-9)54(75)71-52(62(3,4)5)60(81)73-34-43-29-41(26-25-40(43)30-50(73)58(79)69-48-23-15-19-38-17-11-13-21-46(38)48)56(77)67-33-44-28-27-42(32-66-44)57(78)68-45-31-51(59(80)70-49-24-16-20-39-18-12-14-22-47(39)49)74(35-45)61(82)53(63(6,7)8)72-55(76)37(2)65-10/h11-14,17-18,21-22,25-29,32,36-37,45,48-53,64-65H,15-16,19-20,23-24,30-31,33-35H2,1-10H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)(H,71,75)(H,72,76)/t36-,37-,45-,48+,49+,50-,51-,52+,53+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50030270 (CHEMBL3339219 | US9783573, Example 23) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1cnc(NC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)o1)C(C)(C)C |r| Show InChI InChI=1S/C60H79N11O9/c1-33(61-9)50(72)67-48(59(3,4)5)56(78)70-31-39-27-38(26-25-37(39)28-45(70)53(75)65-43-23-15-19-35-17-11-13-21-41(35)43)52(74)69-58-63-30-47(80-58)55(77)64-40-29-46(54(76)66-44-24-16-20-36-18-12-14-22-42(36)44)71(32-40)57(79)49(60(6,7)8)68-51(73)34(2)62-10/h11-14,17-18,21-22,25-27,30,33-34,40,43-46,48-49,61-62H,15-16,19-20,23-24,28-29,31-32H2,1-10H3,(H,64,77)(H,65,75)(H,66,76)(H,67,72)(H,68,73)(H,63,69,74)/t33-,34-,40-,43+,44+,45-,46-,48+,49+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425727 (CHEMBL2316222) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCC(F)(F)c2ccccc12 |r| Show InChI InChI=1S/C30H43F2N5O3/c1-19(33-2)27(38)35-26(20-9-4-3-5-10-20)29(40)37-17-21-11-8-16-36(21)18-25(37)28(39)34-24-14-15-30(31,32)23-13-7-6-12-22(23)24/h6-7,12-13,19-21,24-26,33H,3-5,8-11,14-18H2,1-2H3,(H,34,39)(H,35,38)/t19-,21+,24+,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345205 (US9783573, Example 55) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SC)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C63H82N10O8S/c1-36(64-8)54(74)70-52(62(3,4)5)60(80)73-35-45(33-51(73)59(79)69-49-24-16-20-39-18-12-14-22-47(39)49)67-57(77)41-27-25-40(26-28-41)56(76)66-44-30-29-42-32-50(58(78)68-48-23-15-19-38-17-11-13-21-46(38)48)72(34-43(42)31-44)61(81)53(63(6,7)82-10)71-55(75)37(2)65-9/h11-14,17-18,21-22,25-31,36-37,45,48-53,64-65H,15-16,19-20,23-24,32-35H2,1-10H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,70,74)(H,71,75)/t36-,37-,45-,48+,49?,50-,51-,52+,53+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345168 (US9783573, Example 18) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C56H78N10O7/c1-32(57-9)48(67)63-46(55(3,4)5)52(71)65-30-37-27-38(26-25-36(37)28-44(65)50(69)61-42-23-15-19-34-17-11-13-21-40(34)42)59-54(73)60-39-29-45(51(70)62-43-24-16-20-35-18-12-14-22-41(35)43)66(31-39)53(72)47(56(6,7)8)64-49(68)33(2)58-10/h11-14,17-18,21-22,25-27,32-33,39,42-47,57-58H,15-16,19-20,23-24,28-31H2,1-10H3,(H,61,69)(H,62,70)(H,63,67)(H,64,68)(H2,59,60,73)/t32-,33-,39-,42?,43?,44-,45-,46+,47+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345172 ((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) pro...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1coc(NC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)n1)C(C)(C)C Show InChI InChI=1S/C60H79N11O9/c1-33(61-9)50(72)67-48(59(3,4)5)56(78)70-30-39-27-38(26-25-37(39)28-46(70)54(76)64-43-23-15-19-35-17-11-13-21-41(35)43)52(74)69-58-66-45(32-80-58)53(75)63-40-29-47(55(77)65-44-24-16-20-36-18-12-14-22-42(36)44)71(31-40)57(79)49(60(6,7)8)68-51(73)34(2)62-10/h11-14,17-18,21-22,25-27,32-34,40,43-44,46-49,61-62H,15-16,19-20,23-24,28-31H2,1-10H3,(H,63,75)(H,64,76)(H,65,77)(H,67,72)(H,68,73)(H,66,69,74)/t33-,34-,40-,43+,44+,46-,47-,48+,49+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312987 (US9605022, Example 16) Show SMILES COC(=O)[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)n2cc(COc3ccc(C[C@H](NC(=O)[C@H](Cc4ccc5ccccc5c4)NC(=O)[C@@H]4[C@@H](CCN4C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)n4cc(COc5ccc1cc5)nn4)C#N)cc3)nn2 |r| Show InChI InChI=1S/C90H111N17O16/c1-52(102(15)85(117)122-89(9,10)11)76(108)96-74(87(3,4)5)82(114)104-40-38-69-72(104)80(112)93-67(45-55-26-30-57-22-18-20-24-60(57)42-55)78(110)92-62(47-91)44-54-28-34-65(35-29-54)120-50-63-48-106(100-98-63)70-39-41-105(83(115)75(88(6,7)8)97-77(109)53(2)103(16)86(118)123-90(12,13)14)73(70)81(113)94-68(46-56-27-31-58-23-19-21-25-61(58)43-56)79(111)95-71(84(116)119-17)59-32-36-66(37-33-59)121-51-64-49-107(69)101-99-64/h18-37,42-43,48-49,52-53,62,67-75H,38-41,44-46,50-51H2,1-17H3,(H,92,110)(H,93,112)(H,94,113)(H,95,111)(H,96,108)(H,97,109)/t52-,53-,62-,67-,68-,69+,70+,71-,72?,73-,74+,75+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIA...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312966 (US9605022, Example 1) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(O)=O)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C80H96N16O14/c1-45(81-9)69(97)87-67(79(3,4)5)75(103)93-33-31-63-65(93)73(101)83-59(39-49-19-25-51-15-11-13-17-53(51)35-49)71(99)85-61(77(105)106)37-47-23-29-58(30-24-47)110-44-56-42-96(92-90-56)64-32-34-94(76(104)68(80(6,7)8)88-70(98)46(2)82-10)66(64)74(102)84-60(40-50-20-26-52-16-12-14-18-54(52)36-50)72(100)86-62(78(107)108)38-48-21-27-57(28-22-48)109-43-55-41-95(63)91-89-55/h11-30,35-36,41-42,45-46,59-68,81-82H,31-34,37-40,43-44H2,1-10H3,(H,83,101)(H,84,102)(H,85,99)(H,86,100)(H,87,97)(H,88,98)(H,105,106)(H,107,108)/t45-,46-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIA...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425720 (CHEMBL2316216) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)N1C[C@H]2C[C@@H](O)CN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H41F2N5O5/c1-17(32-2)26(38)34-25(18-7-10-29(30,31)11-8-18)28(40)36-14-19-13-20(37)15-35(19)16-23(36)27(39)33-22-9-12-41-24-6-4-3-5-21(22)24/h3-6,17-20,22-23,25,32,37H,7-16H2,1-2H3,(H,33,39)(H,34,38)/t17-,19+,20+,22+,23-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345176 ((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) pro...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1cn2ncnc(NC(=O)c3ccc4C[C@H](N(Cc4c3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]3CCCc4ccccc34)c2c1C)C(C)(C)C Show InChI InChI=1S/C64H83N13O8/c1-35-46(58(81)69-43-30-50(60(83)71-48-25-17-21-39-19-13-15-23-45(39)48)76(32-43)62(85)53(64(7,8)9)73-56(79)37(3)66-11)33-77-51(35)54(67-34-68-77)74-57(80)41-27-26-40-29-49(59(82)70-47-24-16-20-38-18-12-14-22-44(38)47)75(31-42(40)28-41)61(84)52(63(4,5)6)72-55(78)36(2)65-10/h12-15,18-19,22-23,26-28,33-34,36-37,43,47-50,52-53,65-66H,16-17,20-21,24-25,29-32H2,1-11H3,(H,69,81)(H,70,82)(H,71,83)(H,72,78)(H,73,79)(H,67,68,74,80)/t36-,37-,43-,47+,48+,49-,50-,52+,53+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345213 (N1-((3S,5S)-1-((S)-3,3-Dimethyl-2-((S)-2- (methyla...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)NCCO)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C66H87N11O10S/c1-38(67-8)57(80)74-55(65(3,4)5)63(86)77-36-47(34-53(77)62(85)73-51-23-15-19-41-17-11-13-21-49(41)51)71-60(83)43-26-24-42(25-27-43)59(82)70-46-29-28-44-33-52(61(84)72-50-22-14-18-40-16-10-12-20-48(40)50)76(35-45(44)32-46)64(87)56(75-58(81)39(2)68-9)66(6,7)88-37-54(79)69-30-31-78/h10-13,16-17,20-21,24-29,32,38-39,47,50-53,55-56,67-68,78H,14-15,18-19,22-23,30-31,33-37H2,1-9H3,(H,69,79)(H,70,82)(H,71,83)(H,72,84)(H,73,85)(H,74,80)(H,75,81)/t38-,39-,47-,50+,51+,52-,53-,55+,56+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50343521 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCc2ccc(CCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C60H80N14O6/c1-39(61-3)55(75)63-47-25-13-11-23-45-31-33-51(73(45)59(47)79)57(77)65-53(43-19-7-5-8-20-43)49-37-71(69-67-49)35-15-17-41-27-29-42(30-28-41)18-16-36-72-38-50(68-70-72)54(44-21-9-6-10-22-44)66-58(78)52-34-32-46-24-12-14-26-48(60(80)74(46)52)64-56(76)40(2)62-4/h5-10,19-22,27-30,37-40,45-48,51-54,61-62H,11-18,23-26,31-36H2,1-4H3,(H,63,75)(H,64,76)(H,65,77)(H,66,78)/t39-,40-,45-,46-,47-,48-,51-,52-,53-,54-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50574939 (CHEMBL4870089) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3c2cc(Cc2ccc(F)cc2)c(=O)n3C)[C@@H](CN2CCN(C[C@H]2C)c2ncc(cn2)C(=O)N2CCN(CCCOc3cc4ncnc(Nc5n[nH]c(C)c5C)c4cc3S(=O)(=O)C(C)(C)C)CC2)CN1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 6His-thr cIAP1 BIR3 (253 to 363) domain expressed in Escherichia coli measured after 105 mins in dark by time-resolved fluo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01118 BindingDB Entry DOI: 10.7270/Q2VD739F
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50326216 ((3S,6S,9R,10aR)-6-((S)-2-(Methylamino)propanamido)...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CC[C@H](C[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C33H43N5O4/c1-21(34-2)31(40)37-28-17-15-24(35-30(39)19-22-9-4-3-5-10-22)20-25-16-18-29(38(25)33(28)42)32(41)36-27-14-8-12-23-11-6-7-13-26(23)27/h3-7,9-11,13,21,24-25,27-29,34H,8,12,14-20H2,1-2H3,(H,35,39)(H,36,41)(H,37,40)/t21-,24+,25+,27+,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polari...				J Med Chem 53: 6361-7 (2010) Article DOI: 10.1021/jm100487z BindingDB Entry DOI: 10.7270/Q27H1JTQ
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50279272 (CHEMBL4164385) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OC)c1 |r| Show InChI InChI=1S/C27H36N4O4S/c1-17(28-2)25(33)30-23(18-9-5-4-6-10-18)27(34)31-14-8-13-22(31)26-29-21(16-36-26)24(32)19-11-7-12-20(15-19)35-3/h7,11-12,15-18,22-23,28H,4-6,8-10,13-14H2,1-3H3,(H,30,33)/t17-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral viral infection of MT-4 cells				ACS Med Chem Lett 8: 1042-1047 (2017) Article DOI: 10.1021/acsmedchemlett.7b00247 BindingDB Entry DOI: 10.7270/Q2XG9TNP
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345171 ((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino) pro...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1cnc(NC(=O)c2ccc3C[C@H](N(Cc3c2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)s1)C(C)(C)C Show InChI InChI=1S/C60H79N11O8S/c1-33(61-9)50(72)67-48(59(3,4)5)56(78)70-31-39-27-38(26-25-37(39)28-45(70)53(75)65-43-23-15-19-35-17-11-13-21-41(35)43)52(74)69-58-63-30-47(80-58)55(77)64-40-29-46(54(76)66-44-24-16-20-36-18-12-14-22-42(36)44)71(32-40)57(79)49(60(6,7)8)68-51(73)34(2)62-10/h11-14,17-18,21-22,25-27,30,33-34,40,43-46,48-49,61-62H,15-16,19-20,23-24,28-29,31-32H2,1-10H3,(H,64,77)(H,65,75)(H,66,76)(H,67,72)(H,68,73)(H,63,69,74)/t33-,34-,40-,43+,44+,45-,46-,48+,49+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345215 (N1-((3S,5S)-1-((S)-3,3-Dimethyl-2-((S)-2- (methyla...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCCO)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C64H84N10O9S/c1-37(65-8)55(76)71-53(63(3,4)5)61(82)74-36-46(34-52(74)60(81)70-50-23-15-19-40-17-11-13-21-48(40)50)68-58(79)42-26-24-41(25-27-42)57(78)67-45-29-28-43-33-51(59(80)69-49-22-14-18-39-16-10-12-20-47(39)49)73(35-44(43)32-45)62(83)54(64(6,7)84-31-30-75)72-56(77)38(2)66-9/h10-13,16-17,20-21,24-29,32,37-38,46,49-54,65-66,75H,14-15,18-19,22-23,30-31,33-36H2,1-9H3,(H,67,78)(H,68,79)(H,69,80)(H,70,81)(H,71,76)(H,72,77)/t37-,38-,46-,49+,50+,51-,52-,53+,54+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345207 (US9783573, Example 57) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2CC(N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SC)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C63H82N10O8S/c1-36(64-8)54(74)70-52(62(3,4)5)60(80)73-35-45(33-51(73)59(79)69-49-24-16-20-39-18-12-14-22-47(39)49)67-57(77)41-27-25-40(26-28-41)56(76)66-44-30-29-42-32-50(58(78)68-48-23-15-19-38-17-11-13-21-46(38)48)72(34-43(42)31-44)61(81)53(63(6,7)82-10)71-55(75)37(2)65-9/h11-14,17-18,21-22,25-31,36-37,45,48-53,64-65H,15-16,19-20,23-24,32-35H2,1-10H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,70,74)(H,71,75)/t36-,37-,45?,48+,49?,50?,51-,52+,53+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345209 (N1-((35,5S)-1-((S)-3,3-Dimethyl-2-((S)-2- (methyla...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N(C)CCO)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C67H89N11O10S/c1-39(68-8)58(81)74-56(66(3,4)5)64(87)78-37-48(35-54(78)63(86)73-52-24-16-20-42-18-12-14-22-50(42)52)71-61(84)44-27-25-43(26-28-44)60(83)70-47-30-29-45-34-53(62(85)72-51-23-15-19-41-17-11-13-21-49(41)51)77(36-46(45)33-47)65(88)57(75-59(82)40(2)69-9)67(6,7)89-38-55(80)76(10)31-32-79/h11-14,17-18,21-22,25-30,33,39-40,48,51-54,56-57,68-69,79H,15-16,19-20,23-24,31-32,34-38H2,1-10H3,(H,70,83)(H,71,84)(H,72,85)(H,73,86)(H,74,81)(H,75,82)/t39-,40-,48?,51+,52+,53-,54?,56+,57+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425726 (CHEMBL2316223) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCC(=O)c2ccccc12 |r| Show InChI InChI=1S/C30H43N5O4/c1-19(31-2)28(37)33-27(20-9-4-3-5-10-20)30(39)35-17-21-11-8-16-34(21)18-25(35)29(38)32-24-14-15-26(36)23-13-7-6-12-22(23)24/h6-7,12-13,19-21,24-25,27,31H,3-5,8-11,14-18H2,1-2H3,(H,32,38)(H,33,37)/t19-,21+,24+,25-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50574934 (CHEMBL4876228) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 6His-thr cIAP1 BIR3 (253 to 363) domain expressed in Escherichia coli measured after 105 mins in dark by time-resolved fluo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01118 BindingDB Entry DOI: 10.7270/Q2VD739F
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50078358 (CHEMBL3414723) Show SMILES [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NC(=O)CCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(NC(=O)CCc4cn2nn4)cc3)C(O)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C74H94N18O14/c1-41(2)63(83-65(95)43(5)75-7)71(101)89-39-53-35-59(89)69(99)79-55(31-45-15-11-9-12-16-45)67(97)81-57(73(103)104)33-47-19-23-50(24-20-47)78-62(94)30-28-52-38-92(88-86-52)54-36-60(90(40-54)72(102)64(42(3)4)84-66(96)44(6)76-8)70(100)80-56(32-46-17-13-10-14-18-46)68(98)82-58(74(105)106)34-48-21-25-49(26-22-48)77-61(93)29-27-51-37-91(53)87-85-51/h9-26,37-38,41-44,53-60,63-64,75-76H,27-36,39-40H2,1-8H3,(H,77,93)(H,78,94)(H,79,99)(H,80,100)(H,81,97)(H,82,98)(H,83,95)(H,84,96)(H,103,104)(H,105,106)/t43-,44-,53-,54-,55-,56-,57-,58-,59-,60-,63-,64-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corp Curated by ChEMBL					Assay Description Inhibition of cIAP1 BIR3 (154 to 352 residues) (unknown origin) by fluoresceinated dimeric SMAC peptide based fluorescence polarization assay				J Med Chem 58: 2855-61 (2015) Article DOI: 10.1021/jm501892g BindingDB Entry DOI: 10.7270/Q2RF5WQ0
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50393632 (CHEMBL2158601) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CCCCC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C60H76N10O8/c1-39(61-3)55(73)63-47-37-67(35-33-45-29-31-49(69(45)59(47)77)57(75)65-53(41-19-9-5-10-20-41)42-21-11-6-12-22-42)51(71)27-17-18-28-52(72)68-36-34-46-30-32-50(70(46)60(78)48(38-68)64-56(74)40(2)62-4)58(76)66-54(43-23-13-7-14-24-43)44-25-15-8-16-26-44/h5-16,19-26,39-40,45-50,53-54,61-62H,17-18,27-38H2,1-4H3,(H,63,73)(H,64,74)(H,65,75)(H,66,76)/t39-,40-,45+,46+,47-,48-,49-,50-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay				J Med Chem 55: 106-14 (2012) Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50393630 (CHEMBL2158599) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C56H80N14O6/c1-37(57-3)51(71)59-43-27-17-15-25-41-29-31-47(69(41)55(43)75)53(73)61-49(39-21-11-9-12-22-39)45-35-67(65-63-45)33-19-7-5-6-8-20-34-68-36-46(64-66-68)50(40-23-13-10-14-24-40)62-54(74)48-32-30-42-26-16-18-28-44(56(76)70(42)48)60-52(72)38(2)58-4/h9-14,21-24,35-38,41-44,47-50,57-58H,5-8,15-20,25-34H2,1-4H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay				J Med Chem 55: 106-14 (2012) Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50343523 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C58H84N14O6/c1-39(59-3)53(73)61-45-29-19-17-27-43-31-33-49(71(43)57(45)77)55(75)63-51(41-23-13-11-14-24-41)47-37-69(67-65-47)35-21-9-7-5-6-8-10-22-36-70-38-48(66-68-70)52(42-25-15-12-16-26-42)64-56(76)50-34-32-44-28-18-20-30-46(58(78)72(44)50)62-54(74)40(2)60-4/h11-16,23-26,37-40,43-46,49-52,59-60H,5-10,17-22,27-36H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t39-,40-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50343522 ((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C62H84N14O6/c1-41(63-3)57(77)65-49-27-13-11-25-47-33-35-53(75(47)61(49)81)59(79)67-55(45-21-7-5-8-22-45)51-39-73(71-69-51)37-17-15-19-43-29-31-44(32-30-43)20-16-18-38-74-40-52(70-72-74)56(46-23-9-6-10-24-46)68-60(80)54-36-34-48-26-12-14-28-50(62(82)76(48)54)66-58(78)42(2)64-4/h5-10,21-24,29-32,39-42,47-50,53-56,63-64H,11-20,25-28,33-38H2,1-4H3,(H,65,77)(H,66,78)(H,67,79)(H,68,80)/t41-,42-,47-,48-,49-,50-,53-,54-,55-,56-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50343522 ((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C62H84N14O6/c1-41(63-3)57(77)65-49-27-13-11-25-47-33-35-53(75(47)61(49)81)59(79)67-55(45-21-7-5-8-22-45)51-39-73(71-69-51)37-17-15-19-43-29-31-44(32-30-43)20-16-18-38-74-40-52(70-72-74)56(46-23-9-6-10-24-46)68-60(80)54-36-34-48-26-12-14-28-50(62(82)76(48)54)66-58(78)42(2)64-4/h5-10,21-24,29-32,39-42,47-50,53-56,63-64H,11-20,25-28,33-38H2,1-4H3,(H,65,77)(H,66,78)(H,67,79)(H,68,80)/t41-,42-,47-,48-,49-,50-,53-,54-,55-,56-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay				J Med Chem 55: 106-14 (2012) Article DOI: 10.1021/jm201072x BindingDB Entry DOI: 10.7270/Q2BG2Q3B
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312981 (US9605022, Example 14) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)NC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(O)=O)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)c1n[nH]c(=O)o1)C(C)(C)C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIA...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50343518 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCc2ccc(CCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C58H76N14O6/c1-37(59-3)53(73)61-45-21-13-11-19-43-27-29-49(71(43)57(45)77)55(75)63-51(41-15-7-5-8-16-41)47-35-69(67-65-47)33-31-39-23-25-40(26-24-39)32-34-70-36-48(66-68-70)52(42-17-9-6-10-18-42)64-56(76)50-30-28-44-20-12-14-22-46(58(78)72(44)50)62-54(74)38(2)60-4/h5-10,15-18,23-26,35-38,43-46,49-52,59-60H,11-14,19-22,27-34H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t37-,38-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50343519 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCc2ccc(CCCCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C66H92N14O6/c1-45(67-3)61(81)69-53-31-19-17-29-51-37-39-57(79(51)65(53)85)63(83)71-59(49-25-13-9-14-26-49)55-43-77(75-73-55)41-21-7-5-11-23-47-33-35-48(36-34-47)24-12-6-8-22-42-78-44-56(74-76-78)60(50-27-15-10-16-28-50)72-64(84)58-40-38-52-30-18-20-32-54(66(86)80(52)58)70-62(82)46(2)68-4/h9-10,13-16,25-28,33-36,43-46,51-54,57-60,67-68H,5-8,11-12,17-24,29-32,37-42H2,1-4H3,(H,69,81)(H,70,82)(H,71,83)(H,72,84)/t45-,46-,51-,52-,53-,54-,57-,58-,59-,60-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50343524 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C60H88N14O6/c1-41(61-3)55(75)63-47-31-21-19-29-45-33-35-51(73(45)59(47)79)57(77)65-53(43-25-15-13-16-26-43)49-39-71(69-67-49)37-23-11-9-7-5-6-8-10-12-24-38-72-40-50(68-70-72)54(44-27-17-14-18-28-44)66-58(78)52-36-34-46-30-20-22-32-48(60(80)74(46)52)64-56(76)42(2)62-4/h13-18,25-28,39-42,45-48,51-54,61-62H,5-12,19-24,29-38H2,1-4H3,(H,63,75)(H,64,76)(H,65,77)(H,66,78)/t41-,42-,45-,46-,47-,48-,51-,52-,53-,54-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM345205 (US9783573, Example 55) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)NC1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SC)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C63H82N10O8S/c1-36(64-8)54(74)70-52(62(3,4)5)60(80)73-35-45(33-51(73)59(79)69-49-24-16-20-39-18-12-14-22-47(39)49)67-57(77)41-27-25-40(26-28-41)56(76)66-44-30-29-42-32-50(58(78)68-48-23-15-19-38-17-11-13-21-46(38)48)72(34-43(42)31-44)61(81)53(63(6,7)82-10)71-55(75)37(2)65-9/h11-14,17-18,21-22,25-31,36-37,45,48-53,64-65H,15-16,19-20,23-24,32-35H2,1-10H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,70,74)(H,71,75)/t36-,37-,45-,48+,49?,50-,51-,52+,53+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR3 (241-356, XIA...				US Patent US9783573 (2017) BindingDB Entry DOI: 10.7270/Q24B33FH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50530582 (CHEMBL4581366) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2OS(F)(=O)=O |r| Show InChI InChI=1S/C26H37FN4O6S/c1-16(28-2)24(32)30-23(17-8-4-3-5-9-17)26(34)31-15-7-11-21(31)25(33)29-20-14-13-19-18(20)10-6-12-22(19)37-38(27,35)36/h6,10,12,16-17,20-21,23,28H,3-5,7-9,11,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,20+,21-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108 BindingDB Entry DOI: 10.7270/Q2F47SKT
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50530582 (CHEMBL4581366) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2OS(F)(=O)=O |r| Show InChI InChI=1S/C26H37FN4O6S/c1-16(28-2)24(32)30-23(17-8-4-3-5-9-17)26(34)31-15-7-11-21(31)25(33)29-20-14-13-19-18(20)10-6-12-22(19)37-38(27,35)36/h6,10,12,16-17,20-21,23,28H,3-5,7-9,11,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,20+,21-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108 BindingDB Entry DOI: 10.7270/Q2F47SKT
					More data for this Ligand-Target Pair

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