Compile Data Set for Download or QSAR

Found 102 hits of kd for UniProtKB: P98170   

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
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50393508 (CHEMBL2158054) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCNC(=O)c2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nn1)c1ccccc1)C(=O)CC(C)C |r,wU:2.2,15.20,22.23,12.16,7.6,(2.82,-34.14,;2.26,-32.71,;.74,-32.47,;-.23,-33.67,;.18,-31.04,;-1.34,-30.8,;1.14,-29.83,;.58,-28.4,;-.96,-28.37,;-2.02,-27.25,;-1.99,-25.7,;-.87,-24.63,;.67,-24.67,;1.4,-23.32,;2.91,-23.59,;3.13,-25.11,;1.74,-25.79,;1.7,-27.33,;3.11,-27.95,;4.49,-25.84,;4.54,-27.38,;5.6,-24.78,;7.08,-25.21,;7.56,-26.68,;9.01,-27.15,;9.01,-28.69,;10.33,-29.49,;11.68,-28.74,;13,-29.54,;14.35,-28.79,;15.67,-29.59,;17.02,-28.84,;18.34,-29.64,;19.69,-28.89,;21.01,-29.68,;22.36,-28.93,;23.68,-29.73,;25.03,-28.98,;25.06,-27.44,;26.35,-29.78,;26.31,-31.32,;27.63,-32.11,;28.98,-31.37,;29.01,-29.82,;27.69,-29.03,;29.76,-28.47,;28.98,-27.15,;31.31,-28.46,;30.3,-32.16,;31.64,-31.41,;31.66,-29.89,;32.99,-29.13,;34.32,-29.92,;35.67,-29.17,;34.3,-31.46,;32.96,-32.2,;32.94,-33.74,;31.59,-34.5,;31.56,-36.02,;30.22,-36.76,;30.2,-38.3,;28.9,-35.97,;28.93,-34.44,;30.28,-33.7,;7.55,-29.17,;6.64,-27.92,;8.2,-24.15,;9.67,-24.58,;10.79,-23.53,;10.42,-22.03,;8.94,-21.59,;7.83,-22.66,;-3.52,-27.61,;-4.58,-26.5,;-3.95,-29.09,;-5.45,-29.46,;-5.88,-30.94,;-6.52,-28.35,)| Show InChI InChI=1S/C59H71N9O10/c1-36(2)30-52(71)66-29-26-40-19-25-49(68(40)58(75)48(34-66)62-55(72)37(3)60-4)57(74)63-54(38-16-12-11-13-17-38)47-35-67(65-64-47)28-15-10-8-6-5-7-9-14-27-61-56(73)39-18-22-43(46(31-39)59(76)77)53-44-23-20-41(69)32-50(44)78-51-33-42(70)21-24-45(51)53/h11-13,16-18,20-24,31-33,35-37,40,48-49,54,60,69H,5-10,14-15,19,25-30,34H2,1-4H3,(H,61,73)(H,62,72)(H,63,74)(H,76,77)/t37-,40+,48-,49-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to His6-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) assessed as dissociation constant after 2 to 3 hrs by ...				J Med Chem 54: 2714-26 (2011) Article DOI: 10.1021/jm101505d BindingDB Entry DOI: 10.7270/Q2H70GXK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50438755 (CHEMBL3037930) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C30H40N6O6/c1-17(2)24(34-27(39)18(3)31)30(42)36-15-7-10-23(36)28(40)35-25(20-8-5-4-6-9-20)29(41)33-22(26(32)38)16-19-11-13-21(37)14-12-19/h4-6,8-9,11-14,17-18,22-25,37H,7,10,15-16,31H2,1-3H3,(H2,32,38)(H,33,41)(H,34,39)(H,35,40)/t18-,22-,23-,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a
Queen's University of Belfast Curated by ChEMBL					Assay Description Binding affinity to XIAP BIR3-domain (unknown origin)				Bioorg Med Chem 21: 5004-11 (2013) Article DOI: 10.1016/j.bmc.2013.06.055 BindingDB Entry DOI: 10.7270/Q2SQ91S4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50438756 (CHEMBL2414998) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C32H44N6O6/c1-19(2)27(37-29(41)20(3)34-4)32(44)38-16-8-11-26(38)31(43)36-25(18-21-9-6-5-7-10-21)30(42)35-24(28(33)40)17-22-12-14-23(39)15-13-22/h5-7,9-10,12-15,19-20,24-27,34,39H,8,11,16-18H2,1-4H3,(H2,33,40)(H,35,42)(H,36,43)(H,37,41)/t20-,24-,25-,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a
Queen's University of Belfast Curated by ChEMBL					Assay Description Binding affinity to XIAP BIR3-domain (unknown origin)				Bioorg Med Chem 21: 5004-11 (2013) Article DOI: 10.1016/j.bmc.2013.06.055 BindingDB Entry DOI: 10.7270/Q2SQ91S4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50438757 (CHEMBL2414997) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C31H42N6O6/c1-18(2)26(36-28(40)19(3)32)31(43)37-15-7-10-25(37)30(42)35-24(17-20-8-5-4-6-9-20)29(41)34-23(27(33)39)16-21-11-13-22(38)14-12-21/h4-6,8-9,11-14,18-19,23-26,38H,7,10,15-17,32H2,1-3H3,(H2,33,39)(H,34,41)(H,35,42)(H,36,40)/t19-,23-,24-,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a
Queen's University of Belfast Curated by ChEMBL					Assay Description Binding affinity to XIAP BIR3-domain (unknown origin)				Bioorg Med Chem 21: 5004-11 (2013) Article DOI: 10.1016/j.bmc.2013.06.055 BindingDB Entry DOI: 10.7270/Q2SQ91S4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM13174 ((2S,4S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamin...) 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)Oc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C31H42N4O4/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-23(39-22-14-7-6-8-15-22)18-26(35)29(37)33-25-17-11-13-21-12-9-10-16-24(21)25/h6-10,12,14-16,20,23,25-27,32H,11,13,17-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23-,25+,26-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
Queen's University of Belfast Curated by ChEMBL					Assay Description Binding affinity to XIAP BIR3-domain (unknown origin)				Bioorg Med Chem 21: 5004-11 (2013) Article DOI: 10.1016/j.bmc.2013.06.055 BindingDB Entry DOI: 10.7270/Q2SQ91S4
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13166 ((2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)p...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C25H38N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,19+,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13167 ((2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)p...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C25H38N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,19-,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	706	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q
					More data for this Ligand-Target Pair				3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13168 ((2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-3,...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C24H36N4O3/c1-15(25-5)21(29)27-20(24(2,3)4)23(31)28-14-8-11-19(28)22(30)26-18-13-12-16-9-6-7-10-17(16)18/h6-7,9-10,15,18-20,25H,8,11-14H2,1-5H3,(H,26,30)(H,27,29)/t15-,18+,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	29	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13169 ((2S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-3,...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C24H36N4O3/c1-15(25-5)21(29)27-20(24(2,3)4)23(31)28-14-8-11-19(28)22(30)26-18-13-12-16-9-6-7-10-17(16)18/h6-7,9-10,15,18-20,25H,8,11-14H2,1-5H3,(H,26,30)(H,27,29)/t15-,18-,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13170 ((2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)p...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C25H34N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-8,10-13,16,20-21,26H,9,14-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>500	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13171 ((2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)p...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1)C(C)(C)C |r| Show InChI InChI=1S/C25H34N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-14-8-11-20(29)23(31)27-19-13-12-17-9-6-7-10-18(17)15-19/h6-7,9-10,12-13,15-16,20-21,26H,8,11,14H2,1-5H3,(H,27,31)(H,28,30)/t16-,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13172 ((2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)p...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1c2ccccc2-c2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C28H36N4O3/c1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-16-10-15-22(32)26(34)30-23-20-13-8-6-11-18(20)19-12-7-9-14-21(19)23/h6-9,11-14,17,22-24,29H,10,15-16H2,1-5H3,(H,30,34)(H,31,33)/t17-,22-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	47	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13173 ((2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)p...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C23H36N4O3/c1-16(24-5)20(28)26-19(23(2,3)4)22(30)27-15-9-12-18(27)21(29)25-14-13-17-10-7-6-8-11-17/h6-8,10-11,16,18-19,24H,9,12-15H2,1-5H3,(H,25,29)(H,26,28)/t16-,18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	167	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13174 ((2S,4S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamin...) 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)Oc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C31H42N4O4/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-23(39-22-14-7-6-8-15-22)18-26(35)29(37)33-25-17-11-13-21-12-9-10-16-24(21)25/h6-10,12,14-16,20,23,25-27,32H,11,13,17-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23-,25+,26-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13175 ((2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)p...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C27H40N4O3/c1-18(28-2)25(32)30-24(20-11-4-3-5-12-20)27(34)31-17-9-16-23(31)26(33)29-22-15-8-13-19-10-6-7-14-21(19)22/h6-7,10,14,18,20,22-24,28H,3-5,8-9,11-13,15-17H2,1-2H3,(H,29,33)(H,30,32)/t18-,22+,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	16	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q
					More data for this Ligand-Target Pair				3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13176 ((2S,4S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamin...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)Oc1ccccc1 |r| Show InChI InChI=1S/C33H44N4O4/c1-22(34-2)31(38)36-30(24-13-5-3-6-14-24)33(40)37-21-26(41-25-16-7-4-8-17-25)20-29(37)32(39)35-28-19-11-15-23-12-9-10-18-27(23)28/h4,7-10,12,16-18,22,24,26,28-30,34H,3,5-6,11,13-15,19-21H2,1-2H3,(H,35,39)(H,36,38)/t22-,26-,28+,29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q
					More data for this Ligand-Target Pair				3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13177 ((2S)-1-[(2S)-2-[(2S)-2-(dimethylamino)propanamido]...) Show SMILES C[C@H](N(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C26H40N4O3/c1-17(29(5)6)23(31)28-22(26(2,3)4)25(33)30-16-10-15-21(30)24(32)27-20-14-9-12-18-11-7-8-13-19(18)20/h7-8,11,13,17,20-22H,9-10,12,14-16H2,1-6H3,(H,27,32)(H,28,31)/t17-,20+,21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q
					More data for this Ligand-Target Pair				3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13178 ((2S,4S)-1-[(2S)-2-[(2S)-2-(dimethylamino)propanami...) Show SMILES C[C@H](N(C)C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)Oc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C32H44N4O4/c1-21(35(5)6)29(37)34-28(32(2,3)4)31(39)36-20-24(40-23-15-8-7-9-16-23)19-27(36)30(38)33-26-18-12-14-22-13-10-11-17-25(22)26/h7-11,13,15-17,21,24,26-28H,12,14,18-20H2,1-6H3,(H,33,38)(H,34,37)/t21-,24-,26+,27-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q
					More data for this Ligand-Target Pair				3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13179 ((2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(dimethylamino...) Show SMILES C[C@H](N(C)C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C28H42N4O3/c1-19(31(2)3)26(33)30-25(21-12-5-4-6-13-21)28(35)32-18-10-17-24(32)27(34)29-23-16-9-14-20-11-7-8-15-22(20)23/h7-8,11,15,19,21,23-25H,4-6,9-10,12-14,16-18H2,1-3H3,(H,29,34)(H,30,33)/t19-,23+,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q
					More data for this Ligand-Target Pair				3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13180 ((2S)-1-[(2S)-3,3-dimethyl-2-[(2R)-2-(methylamino)p...) Show SMILES CN[C@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C25H38N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,19-,20+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q
					More data for this Ligand-Target Pair				3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13181 ((2S)-2-amino-N-(5,7-dimethyl-1,8-naphthyridin-2-yl...) Show SMILES C[C@H](N)C(=O)Nc1ccc2c(C)cc(C)nc2n1 |r| Show InChI InChI=1S/C13H16N4O/c1-7-6-8(2)15-12-10(7)4-5-11(16-12)17-13(18)9(3)14/h4-6,9H,14H2,1-3H3,(H,15,16,17,18)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13182 ((2S)-2-amino-N-[5-(4-butoxyphenyl)-1,3,4-thiadiazo...) Show SMILES CCCCOc1ccc(cc1)-c1nnc(NC(=O)[C@H](C)N)s1 |r| Show InChI InChI=1S/C15H20N4O2S/c1-3-4-9-21-12-7-5-11(6-8-12)14-18-19-15(22-14)17-13(20)10(2)16/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,19,20)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13183 ((2S)-2-amino-N-(5-benzoyl-1H-1,3-benzodiazol-2-yl)...) Show SMILES C[C@H](N)C(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C17H16N4O2/c1-10(18)16(23)21-17-19-13-8-7-12(9-14(13)20-17)15(22)11-5-3-2-4-6-11/h2-10H,18H2,1H3,(H2,19,20,21,23)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13184 ((2S)-2-amino-N-[4-(4-chloro-3-methylphenyl)-1,3-th...) Show SMILES C[C@H](N)C(=O)Nc1nc(cs1)-c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C13H14ClN3OS/c1-7-5-9(3-4-10(7)14)11-6-19-13(16-11)17-12(18)8(2)15/h3-6,8H,15H2,1-2H3,(H,16,17,18)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13185 ((2S)-2-amino-N-{5-methyl-4-[(2,4,6-trimethylphenyl...) Show SMILES C[C@H](N)C(=O)Nc1nc(C)c(Cc2c(C)cc(C)cc2C)[nH]1 |r| Show InChI InChI=1S/C17H24N4O/c1-9-6-10(2)14(11(3)7-9)8-15-13(5)19-17(20-15)21-16(22)12(4)18/h6-7,12H,8,18H2,1-5H3,(H2,19,20,21,22)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13186 ((2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl...) Show SMILES C[C@H](N)C(=O)Nc1nc(c(C)s1)-c1ccccc1 |r| Show InChI InChI=1S/C13H15N3OS/c1-8(14)12(17)16-13-15-11(9(2)18-13)10-6-4-3-5-7-10/h3-8H,14H2,1-2H3,(H,15,16,17)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13187 ((2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-...) Show SMILES C[C@H](N)C(=O)Nc1nc(c(s1)C(C)(C)C)-c1ccccc1 |r| Show InChI InChI=1S/C16H21N3OS/c1-10(17)14(20)19-15-18-12(11-8-6-5-7-9-11)13(21-15)16(2,3)4/h5-10H,17H2,1-4H3,(H,18,19,20)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13188 ((2S)-2-amino-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl...) Show SMILES C[C@H](N)C(=O)Nc1nc(C)c(s1)-c1ccccc1 |r| Show InChI InChI=1S/C13H15N3OS/c1-8(14)12(17)16-13-15-9(2)11(18-13)10-6-4-3-5-7-10/h3-8H,14H2,1-2H3,(H,15,16,17)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13189 ((2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)prop...) Show SMILES C[C@H](N)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C18H17N3OS/c1-12(19)17(22)21-18-20-15(13-8-4-2-5-9-13)16(23-18)14-10-6-3-7-11-14/h2-12H,19H2,1H3,(H,20,21,22)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13190 ((2S)-2-amino-N-[4-(4-bromophenyl)-5-phenyl-1,3-thi...) Show SMILES C[C@H](N)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccc(Br)cc1 |r| Show InChI InChI=1S/C18H16BrN3OS/c1-11(20)17(23)22-18-21-15(12-7-9-14(19)10-8-12)16(24-18)13-5-3-2-4-6-13/h2-11H,20H2,1H3,(H,21,22,23)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13191 ((2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-th...) Show SMILES C[C@H](N)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccc(Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C25H23N3OS/c1-17(26)24(29)28-25-27-22(23(30-25)21-10-6-3-7-11-21)20-14-12-19(13-15-20)16-18-8-4-2-5-9-18/h2-15,17H,16,26H2,1H3,(H,27,28,29)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13192 ((2S)-2-amino-N-[5-benzyl-4-(3-benzylphenyl)-1,3-th...) Show SMILES C[C@H](N)C(=O)Nc1nc(c(Cc2ccccc2)s1)-c1cccc(Cc2ccccc2)c1 |r| Show InChI InChI=1S/C26H25N3OS/c1-18(27)25(30)29-26-28-24(23(31-26)17-20-11-6-3-7-12-20)22-14-8-13-21(16-22)15-19-9-4-2-5-10-19/h2-14,16,18H,15,17,27H2,1H3,(H,28,29,30)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13193 ((2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thi...) Show SMILES C[C@H](N)C(=O)Nc1nc(COc2ccccc2)c(Cc2ccccc2)s1 |r| Show InChI InChI=1S/C20H21N3O2S/c1-14(21)19(24)23-20-22-17(13-25-16-10-6-3-7-11-16)18(26-20)12-15-8-4-2-5-9-15/h2-11,14H,12-13,21H2,1H3,(H,22,23,24)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13194 ((2S)-2-amino-N-{5-benzyl-4-[(benzyloxy)methyl]-1,3...) Show SMILES C[C@H](N)C(=O)Nc1nc(COCc2ccccc2)c(Cc2ccccc2)s1 |r| Show InChI InChI=1S/C21H23N3O2S/c1-15(22)20(25)24-21-23-18(14-26-13-17-10-6-3-7-11-17)19(27-21)12-16-8-4-2-5-9-16/h2-11,15H,12-14,22H2,1H3,(H,23,24,25)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13195 ((2S)-2-amino-N-{5-benzyl-4-[(naphthalen-1-yloxy)me...) Show SMILES C[C@H](N)C(=O)Nc1nc(COc2cccc3ccccc23)c(Cc2ccccc2)s1 |r| Show InChI InChI=1S/C24H23N3O2S/c1-16(25)23(28)27-24-26-20(22(30-24)14-17-8-3-2-4-9-17)15-29-21-13-7-11-18-10-5-6-12-19(18)21/h2-13,16H,14-15,25H2,1H3,(H,26,27,28)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13196 ((2S)-2-amino-N-{5-benzyl-4-[(naphthalen-2-yloxy)me...) Show SMILES C[C@H](N)C(=O)Nc1nc(COc2ccc3ccccc3c2)c(Cc2ccccc2)s1 |r| Show InChI InChI=1S/C24H23N3O2S/c1-16(25)23(28)27-24-26-21(22(30-24)13-17-7-3-2-4-8-17)15-29-20-12-11-18-9-5-6-10-19(18)14-20/h2-12,14,16H,13,15,25H2,1H3,(H,26,27,28)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13197 ((2S)-2-amino-N-{5-benzyl-4-[(2,3-dihydro-1H-inden-...) Show SMILES C[C@H](N)C(=O)Nc1nc(COC2Cc3ccccc3C2)c(Cc2ccccc2)s1 |r| Show InChI InChI=1S/C23H25N3O2S/c1-15(24)22(27)26-23-25-20(21(29-23)11-16-7-3-2-4-8-16)14-28-19-12-17-9-5-6-10-18(17)13-19/h2-10,15,19H,11-14,24H2,1H3,(H,25,26,27)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13198 ((2S)-2-amino-N-{5-thia-3-azatricyclo[7.4.0.0^{2,6}...) Show SMILES C[C@H](N)C(=O)Nc1nc2c(ccc3ccccc23)s1 |r| Show InChI InChI=1S/C14H13N3OS/c1-8(15)13(18)17-14-16-12-10-5-3-2-4-9(10)6-7-11(12)19-14/h2-8H,15H2,1H3,(H,16,17,18)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13199 ((2S)-2-amino-N-{5-thia-3-azatricyclo[7.4.0.0^{2,6}...) Show SMILES C[C@H](N)C(=O)Nc1nc-2c(CCc3ccccc-23)s1 |r| Show InChI InChI=1S/C14H15N3OS/c1-8(15)13(18)17-14-16-12-10-5-3-2-4-9(10)6-7-11(12)19-14/h2-5,8H,6-7,15H2,1H3,(H,16,17,18)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM17336 ((2S)-2-{[(2S)-1-({2-[(1S)-1-aminoethyl]-1,3-oxazol...) Show SMILES C[C@H](N)c1nc(co1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C20H24N4O5/c1-12(21)18-23-15(11-29-18)19(26)24-9-5-8-16(24)17(25)22-14(20(27)28)10-13-6-3-2-4-7-13/h2-4,6-7,11-12,14,16H,5,8-10,21H2,1H3,(H,22,25)(H,27,28)/t12-,14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	7.0	22
Princeton University					Assay Description AVPC-badan can be displaced from the binding pocket of the protein by test compounds. As the dye is displaced from the binding pocket, the emission i...				Bioorg Med Chem 15: 2935-43 (2007) Article DOI: 10.1016/j.bmc.2007.02.010 BindingDB Entry DOI: 10.7270/Q2KS6PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM17338 ((2S)-2-{[(2S)-1-({2-[(1S)-1-aminoethyl]-1,3-oxazol...) Show SMILES C[C@H](N)c1nc(co1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C22H25N5O5/c1-12(23)20-26-17(11-32-20)21(29)27-8-4-7-18(27)19(28)25-16(22(30)31)9-13-10-24-15-6-3-2-5-14(13)15/h2-3,5-6,10-12,16,18,24H,4,7-9,23H2,1H3,(H,25,28)(H,30,31)/t12-,16-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	7.0	22
Princeton University					Assay Description AVPC-badan can be displaced from the binding pocket of the protein by test compounds. As the dye is displaced from the binding pocket, the emission i...				Bioorg Med Chem 15: 2935-43 (2007) Article DOI: 10.1016/j.bmc.2007.02.010 BindingDB Entry DOI: 10.7270/Q2KS6PT4
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM17339 ((2S)-2-{[(2S)-1-({2-[(1S)-1-aminoethyl]-1,3-oxazol...) Show SMILES C[C@H](N)c1nc(co1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C20H24N4O6/c1-11(21)18-23-15(10-30-18)19(27)24-8-2-3-16(24)17(26)22-14(20(28)29)9-12-4-6-13(25)7-5-12/h4-7,10-11,14,16,25H,2-3,8-9,21H2,1H3,(H,22,26)(H,28,29)/t11-,14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20E+5	n/a	n/a	n/a	7.0	22
Princeton University					Assay Description AVPC-badan can be displaced from the binding pocket of the protein by test compounds. As the dye is displaced from the binding pocket, the emission i...				Bioorg Med Chem 15: 2935-43 (2007) Article DOI: 10.1016/j.bmc.2007.02.010 BindingDB Entry DOI: 10.7270/Q2KS6PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM17340 ((2S,3R)-2-{[(2S)-1-({2-[(1S)-1-aminoethyl]-1,3-oxa...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1coc(n1)[C@H](C)N)C(O)=O |r| Show InChI InChI=1S/C17H26N4O5/c1-4-9(2)13(17(24)25)20-14(22)12-6-5-7-21(12)16(23)11-8-26-15(19-11)10(3)18/h8-10,12-13H,4-7,18H2,1-3H3,(H,20,22)(H,24,25)/t9-,10+,12+,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.00E+5	n/a	n/a	n/a	7.0	22
Princeton University					Assay Description AVPC-badan can be displaced from the binding pocket of the protein by test compounds. As the dye is displaced from the binding pocket, the emission i...				Bioorg Med Chem 15: 2935-43 (2007) Article DOI: 10.1016/j.bmc.2007.02.010 BindingDB Entry DOI: 10.7270/Q2KS6PT4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50364484 (CHEMBL1950864) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]1C[C@@H]2CC[C@H]1N(CCc1ccccc1)C2 |r,TLB:24:23:17.18:21.20| Show InChI InChI=1S/C27H42N4O2/c1-19(28-2)26(32)30-25(22-11-7-4-8-12-22)27(33)29-23-17-21-13-14-24(23)31(18-21)16-15-20-9-5-3-6-10-20/h3,5-6,9-10,19,21-25,28H,4,7-8,11-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23-,24+,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Binding affinity to GST-tagged BIR3 domain of XIAP by isothermal titration calorimetry				Bioorg Med Chem Lett 22: 1690-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.109 BindingDB Entry DOI: 10.7270/Q2G161BG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50364485 (CHEMBL1950720) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H]2CCN(CCc3ccccc3)C[C@@H]12 |r| Show InChI InChI=1S/C27H42N4O2/c1-20(28-2)26(32)29-25(23-11-7-4-8-12-23)27(33)31-18-15-22-14-17-30(19-24(22)31)16-13-21-9-5-3-6-10-21/h3,5-6,9-10,20,22-25,28H,4,7-8,11-19H2,1-2H3,(H,29,32)/t20-,22+,24+,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Binding affinity to GST-tagged BIR3 domain of XIAP by isothermal titration calorimetry				Bioorg Med Chem Lett 22: 1690-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.109 BindingDB Entry DOI: 10.7270/Q2G161BG
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50145767 (AVPIAQKSEK-FAM | CHEMBL404788) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=O)c1c(cccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)ON1C(=O)CCC1=O)C(O)=O |wU:4.4,51.51,33.33,19.21,wD:15.16,8.7,57.57,42.42,66.66,28.29,2.2,(35.44,11.61,;35.01,12.77,;33.5,13.04,;32.71,12.09,;32.97,14.48,;33.96,15.67,;35.48,15.4,;35.9,14.24,;36.47,16.57,;36.09,18.05,;37.39,18.86,;38.57,17.88,;38,16.45,;38.8,15.14,;38.22,14.06,;40.34,15.19,;41.15,13.87,;42.69,13.92,;43.28,15,;43.5,12.61,;42.92,11.52,;44.73,12.64,;41.08,16.54,;42.31,16.57,;40.43,17.59,;31.45,14.75,;31.04,15.91,;30.46,13.58,;28.94,13.85,;28.52,15.01,;27.95,12.67,;28.37,11.51,;26.43,12.94,;25.44,11.76,;25.97,10.31,;27.48,10.04,;28.02,8.6,;27.22,7.65,;29.23,8.38,;23.93,12.03,;23.51,13.19,;22.93,10.85,;21.41,11.12,;20.89,12.57,;21.88,13.75,;21.36,15.2,;22.36,16.38,;21.94,17.53,;20.42,9.94,;20.84,8.78,;18.9,10.21,;17.91,9.03,;18.44,7.58,;19.65,7.37,;16.39,9.3,;15.97,10.46,;15.4,8.12,;13.89,8.39,;13.36,9.84,;14.36,11.02,;13.83,12.47,;12.62,12.69,;14.63,13.41,;12.89,7.22,;13.31,6.06,;11.37,7.49,;10.38,6.31,;8.86,6.57,;7.87,5.4,;6.36,5.67,;5.36,4.49,;3.85,4.76,;2.85,3.58,;3.27,2.43,;1.33,3.85,;1.33,5.39,;,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;,1.54,;1.31,.77,;2.67,1.54,;4,.77,;4,-.77,;5.06,-1.39,;2.67,-1.54,;1.31,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-5.07,-1.39,;-4,.77,;-2.67,1.54,;-1.33,.77,;2.67,6.16,;3.73,5.55,;2.67,7.7,;4,8.48,;5.38,7.84,;5.63,6.63,;6.41,8.99,;5.64,10.32,;4.14,10,;3.22,10.82,;10.9,4.86,;12.11,4.64,;10.11,3.92,)| Show InChI InChI=1S/C72H96N14O23/c1-7-36(4)60(84-67(101)50-18-13-31-85(50)70(104)59(35(2)3)83-61(95)37(5)74)69(103)77-38(6)62(96)78-46(23-25-53(75)90)64(98)79-45(16-8-10-29-73)63(97)82-49(34-87)66(100)80-47(24-28-56(93)94)65(99)81-48(71(105)106)17-9-11-30-76-68(102)58-43(14-12-15-44(58)72(107)109-86-54(91)26-27-55(86)92)57-41-21-19-39(88)32-51(41)108-52-33-40(89)20-22-42(52)57/h12,14-15,19-22,32-33,35-38,45-50,59-60,87-88H,7-11,13,16-18,23-31,34,73-74H2,1-6H3,(H2,75,90)(H,76,102)(H,77,103)(H,78,96)(H,79,98)(H,80,100)(H,81,99)(H,82,97)(H,83,95)(H,84,101)(H,93,94)(H,105,106)/t36-,37-,38-,45-,46-,47-,48-,49-,50-,59-,60-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Dissociation constant towards X-linked inhibitor of apoptosis (XIAP) BIR3 protein was determined				J Med Chem 47: 2430-40 (2004) Article DOI: 10.1021/jm030420+ BindingDB Entry DOI: 10.7270/Q2Q81DT0
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50145768 (AVPIAQKSEK | CHEMBL414396) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C47H83N13O15/c1-7-25(4)37(59-44(71)33-15-12-22-60(33)46(73)36(24(2)3)58-38(65)26(5)50)45(72)52-27(6)39(66)53-29(16-18-34(51)62)41(68)54-28(13-8-10-20-48)40(67)57-32(23-61)43(70)55-30(17-19-35(63)64)42(69)56-31(47(74)75)14-9-11-21-49/h24-33,36-37,61H,7-23,48-50H2,1-6H3,(H2,51,62)(H,52,72)(H,53,66)(H,54,68)(H,55,70)(H,56,69)(H,57,67)(H,58,65)(H,59,71)(H,63,64)(H,74,75)/t25-,26-,27-,28-,29-,30-,31-,32-,33+,36-,37-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Dissociation constant for XIAP BIR3 protein				J Med Chem 47: 2430-40 (2004) Article DOI: 10.1021/jm030420+ BindingDB Entry DOI: 10.7270/Q2Q81DT0
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50145770 (6-Amino-2-[(S)-2-((S)-2-{(S)-2-[((R)-{1-[(S)-2-((S...) Show SMILES C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C37H60N12O9/c1-21(39)30(51)46-25(13-8-18-43-37(41)42)35(56)49-19-9-14-28(49)34(55)48-27(20-23-10-4-3-5-11-23)33(54)44-22(2)31(52)45-24(15-16-29(40)50)32(53)47-26(36(57)58)12-6-7-17-38/h3-5,10-11,21-22,24-28H,6-9,12-20,38-39H2,1-2H3,(H2,40,50)(H,44,54)(H,45,52)(H,46,51)(H,47,53)(H,48,55)(H,57,58)(H4,41,42,43)/t21-,22-,24-,25-,26-,27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Dissociation constant for XIAP BIR3 protein in FP-based binding assay				J Med Chem 47: 2430-40 (2004) Article DOI: 10.1021/jm030420+ BindingDB Entry DOI: 10.7270/Q2Q81DT0
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50145772 (ARPFAQK-FAM | CHEMBL384327) Show SMILES C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C(C)CCCNC(=O)c1c(cccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)ON1C(=O)CCC1=O)C(O)=O |wU:20.21,1.1,35.37,wD:24.24,6.5,40.41,(31.3,11.3,;31.12,12.52,;32.08,13.28,;29.68,13.08,;29.5,14.3,;28.48,12.12,;27.04,12.69,;26.82,14.21,;28.03,15.17,;27.8,16.69,;29.01,17.65,;28.79,19.17,;27.64,19.63,;29.75,19.94,;25.83,11.73,;24.69,12.18,;26.06,10.21,;27.42,9.48,;27.16,7.97,;25.63,7.76,;24.97,9.13,;23.46,9.4,;22.66,8.46,;22.93,10.85,;21.41,11.12,;20.89,12.57,;21.88,13.75,;21.37,15.2,;22.36,16.37,;23.88,16.1,;24.4,14.65,;23.4,13.47,;20.42,9.94,;20.84,8.78,;18.9,10.21,;17.91,9.03,;18.33,7.88,;16.39,9.3,;15.97,10.46,;15.4,8.12,;13.89,8.39,;13.36,9.84,;14.36,11.02,;13.83,12.47,;12.62,12.69,;14.63,13.41,;12.89,7.22,;13.31,6.06,;11.37,7.49,;10.38,6.31,;8.86,6.57,;8.44,7.73,;7.87,5.4,;6.36,5.67,;5.36,4.49,;3.85,4.76,;2.85,3.58,;3.27,2.43,;1.33,3.85,;1.33,5.39,;,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;,1.54,;1.31,.77,;2.67,1.54,;4,.77,;4,-.77,;5.06,-1.39,;2.67,-1.54,;1.31,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-5.07,-1.39,;-4,.77,;-2.67,1.54,;-1.33,.77,;2.67,6.16,;3.73,5.55,;2.67,7.7,;4,8.48,;5.38,7.84,;5.63,6.63,;6.41,8.99,;5.64,10.32,;4.14,10,;3.22,10.82,;10.91,4.86,;10.12,3.92,;12.12,4.65,)| Show InChI InChI=1S/C63H75N13O17/c1-32(11-8-26-68-59(87)52-40(14-7-15-41(52)62(91)93-76-49(80)24-25-50(76)81)51-38-20-18-36(77)30-46(38)92-47-31-37(78)19-21-39(47)51)53(61(89)90)74-56(84)42(22-23-48(65)79)71-55(83)34(3)70-57(85)44(29-35-12-5-4-6-13-35)73-58(86)45-17-10-28-75(45)60(88)43(72-54(82)33(2)64)16-9-27-69-63(66)67/h4-7,12-15,18-21,30-34,42-45,53,77H,8-11,16-17,22-29,64H2,1-3H3,(H2,65,79)(H,68,87)(H,70,85)(H,71,83)(H,72,82)(H,73,86)(H,74,84)(H,89,90)(H4,66,67,69)/t32?,33-,34-,42-,43-,44-,45-,53?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Dissociation constant towards X-linked inhibitor of apoptosis (XIAP) BIR3 protein was determined				J Med Chem 47: 2430-40 (2004) Article DOI: 10.1021/jm030420+ BindingDB Entry DOI: 10.7270/Q2Q81DT0
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50145770 (6-Amino-2-[(S)-2-((S)-2-{(S)-2-[((R)-{1-[(S)-2-((S...) Show SMILES C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C37H60N12O9/c1-21(39)30(51)46-25(13-8-18-43-37(41)42)35(56)49-19-9-14-28(49)34(55)48-27(20-23-10-4-3-5-11-23)33(54)44-22(2)31(52)45-24(15-16-29(40)50)32(53)47-26(36(57)58)12-6-7-17-38/h3-5,10-11,21-22,24-28H,6-9,12-20,38-39H2,1-2H3,(H2,40,50)(H,44,54)(H,45,52)(H,46,51)(H,47,53)(H,48,55)(H,57,58)(H4,41,42,43)/t21-,22-,24-,25-,26-,27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Dissociation constant for XIAP BIR3 protein using different binding assay				J Med Chem 47: 2430-40 (2004) Article DOI: 10.1021/jm030420+ BindingDB Entry DOI: 10.7270/Q2Q81DT0
					More data for this Ligand-Target Pair

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