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Compile Data Set for Download or QSAR

Found 38 hits of kd data for polymerid = 2972   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13174
PNG
((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
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n/an/an/a 5n/an/an/a7.422



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
3D Structure (crystal)
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13176
PNG
((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
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n/an/an/a 6n/an/an/a7.422



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
3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13166
PNG
((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
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n/an/an/a 12n/an/an/a7.422



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
3D Structure (crystal)
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13175
PNG
((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
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n/an/an/a 16n/an/an/a7.422



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
3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13168
PNG
((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
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n/an/an/a 29n/an/an/a7.422



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
PNG
((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
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n/an/an/a 47n/an/an/a7.422



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
PNG
((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
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n/an/an/a 167n/an/an/a7.422



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
PNG
((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
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n/an/an/a>500n/an/an/a7.422



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))		BDBM13167
PNG
((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
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n/an/an/a 706n/an/an/a7.422



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
3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13190
PNG
((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
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n/an/an/a 740n/an/an/an/an/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))		BDBM13180
PNG
((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
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n/an/an/a>1.00E+3n/an/an/a7.422



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
3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13179
PNG
((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
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n/an/an/a>1.00E+3n/an/an/a7.422



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
3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13177
PNG
((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
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n/an/an/a>1.00E+3n/an/an/a7.422



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
3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13171
PNG
((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
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n/an/an/a>1.00E+3n/an/an/a7.422



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
PNG
((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
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n/an/an/a>1.00E+3n/an/an/a7.422



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))		BDBM13178
PNG
((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
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n/an/an/a>1.00E+3n/an/an/a7.422



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
3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13189
PNG
((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
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n/an/an/a 1.10E+3n/an/an/an/an/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
PNG
((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
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n/an/an/a 1.20E+3n/an/an/an/an/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))		BDBM13185
PNG
((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
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n/an/an/a 2.00E+3n/an/an/a7.422



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
PNG
((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
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n/an/an/a 4.10E+3n/an/an/an/an/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
PNG
((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
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n/an/an/a 4.10E+3n/an/an/an/an/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))		BDBM13187
PNG
((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
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n/an/an/a 4.80E+3n/an/an/an/an/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
PNG
((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
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n/an/an/a 5.60E+3n/an/an/an/an/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
PNG
((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
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n/an/an/a 7.10E+3n/an/an/an/an/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
PNG
((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
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n/an/an/a 1.10E+4n/an/an/a7.022



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))		BDBM13196
PNG
((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
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n/an/an/a 1.40E+4n/an/an/an/an/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))		BDBM13186
PNG
((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
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n/an/an/a 1.50E+4n/an/an/a7.422



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
PNG
((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
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n/an/an/a 1.50E+4n/an/an/an/an/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))		BDBM13181
PNG
((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
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n/an/an/a 2.00E+4n/an/an/a7.422



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
PNG
((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
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n/an/an/a 2.10E+4n/an/an/an/an/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
PNG
((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
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n/an/an/a 2.20E+4n/an/an/an/an/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))		BDBM13182
PNG
((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
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n/an/an/a 2.50E+4n/an/an/a7.422



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
PNG
((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
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n/an/an/a 3.00E+4n/an/an/a7.422



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
PNG
((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
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n/an/an/a 3.00E+4n/an/an/a7.422



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))		BDBM17338
PNG
((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
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n/an/an/a 3.00E+4n/an/an/a7.022



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
3D Structure (crystal)
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM13192
PNG
((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
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n/an/an/a>1.00E+5n/an/an/an/an/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))		BDBM17339
PNG
((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
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n/an/an/a 1.20E+5n/an/an/a7.022



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
PNG
((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
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n/an/an/a 3.00E+5n/an/an/a7.022



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