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PubMed code 20189383

Compile data set for download or QSAR
Found 70 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))		BDBM50314450
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(4-fluoronapht...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1ccc(F)c2ccccc12 |r|
Show InChI InChI=1S/C29H35FN4O2S/c1-18(31-2)27(35)33-26(19-9-4-3-5-10-19)29(36)34-16-8-13-25(34)28-32-24(17-37-28)22-14-15-23(30)21-12-7-6-11-20(21)22/h6-7,11-12,14-15,17-19,25-26,31H,3-5,8-10,13,16H2,1-2H3,(H,33,35)/t18-,25-,26-/m0/s1
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 1.90E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314480
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-phenylth...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(nccc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)26(34)31-24(20-12-7-4-8-13-20)28(35)33-17-9-14-21(33)27-32-25-22(36-27)15-16-30-23(25)19-10-5-3-6-11-19/h3,5-6,10-11,15-16,18,20-21,24,29H,4,7-9,12-14,17H2,1-2H3,(H,31,34)/t18-,21-,24-/m0/s1
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 2.40E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314457
PNG
((2S)-N-((1S)-2-((2S)-2-(5-fluoro-4-(naphthalen-1-y...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(c(F)s1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C28H33FN4O3S/c1-17(30-2)26(34)31-23(19-12-15-36-16-13-19)28(35)33-14-6-11-22(33)27-32-24(25(29)37-27)21-10-5-8-18-7-3-4-9-20(18)21/h3-5,7-10,17,19,22-23,30H,6,11-16H2,1-2H3,(H,31,34)/t17-,22-,23-/m0/s1
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 2.40E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314463
PNG
((2S)-N-((1S)-2-((2S)-2-(5-(3-hydroxyprop-1-ynyl)-4...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(c(s1)C#CCO)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C31H36N4O4S/c1-20(32-2)29(37)33-27(22-14-18-39-19-15-22)31(38)35-16-6-12-25(35)30-34-28(26(40-30)13-7-17-36)24-11-5-9-21-8-3-4-10-23(21)24/h3-5,8-11,20,22,25,27,32,36H,6,12,14-19H2,1-2H3,(H,33,37)/t20-,25-,27-/m0/s1
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 3.10E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314462
PNG
((2S)-N-((1S)-2-((2S)-2-(5-(3-methoxyprop-1-ynyl)-4...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(c(s1)C#CCOC)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C32H38N4O4S/c1-21(33-2)30(37)34-28(23-15-19-40-20-16-23)32(38)36-17-7-13-26(36)31-35-29(27(41-31)14-8-18-39-3)25-12-6-10-22-9-4-5-11-24(22)25/h4-6,9-12,21,23,26,28,33H,7,13,15-20H2,1-3H3,(H,34,37)/t21-,26-,28-/m0/s1
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 3.10E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314460
PNG
((2S)-N-((1S)-2-((2S)-2-(5-ethynyl-4-(naphthalen-1-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(c(s1)C#C)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C30H34N4O3S/c1-4-25-27(23-12-7-10-20-9-5-6-11-22(20)23)33-29(38-25)24-13-8-16-34(24)30(36)26(21-14-17-37-18-15-21)32-28(35)19(2)31-3/h1,5-7,9-12,19,21,24,26,31H,8,13-18H2,2-3H3,(H,32,35)/t19-,24-,26-/m0/s1
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 3.10E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314479
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(5-methyl-7-pheny...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(nc(C)nc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H36N6O2S/c1-17(29-3)25(35)32-23(20-13-8-5-9-14-20)28(36)34-16-10-15-21(34)26-33-24-22(19-11-6-4-7-12-19)30-18(2)31-27(24)37-26/h4,6-7,11-12,17,20-21,23,29H,5,8-10,13-16H2,1-3H3,(H,32,35)/t17-,21-,23-/m0/s1
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 3.20E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314459
PNG
((2S)-N-((1S)-2-((2S)-2-(5-cyano-4-(naphthalen-1-yl...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(c(s1)C#N)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H33N5O3S/c1-18(31-2)27(35)32-25(20-12-15-37-16-13-20)29(36)34-14-6-11-23(34)28-33-26(24(17-30)38-28)22-10-5-8-19-7-3-4-9-21(19)22/h3-5,7-10,18,20,23,25,31H,6,11-16H2,1-2H3,(H,32,35)/t18-,23-,25-/m0/s1
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 3.20E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314458
PNG
((2S)-N-((1S)-2-((2S)-2-(5-chloro-4-(naphthalen-1-y...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(c(Cl)s1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H35ClN4O2S/c1-18(31-2)27(35)32-24(20-11-4-3-5-12-20)29(36)34-17-9-16-23(34)28-33-25(26(30)37-28)22-15-8-13-19-10-6-7-14-21(19)22/h6-8,10,13-15,18,20,23-24,31H,3-5,9,11-12,16-17H2,1-2H3,(H,32,35)/t18-,23-,24-/m0/s1
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 3.50E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314449
PNG
((S)-2-(methylamino)-N-((S)-2-((S)-2-(4-(naphthalen...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C28H34N4O3S/c1-18(29-2)26(33)31-25(20-12-15-35-16-13-20)28(34)32-14-6-11-24(32)27-30-23(17-36-27)22-10-5-8-19-7-3-4-9-21(19)22/h3-5,7-10,17-18,20,24-25,29H,6,11-16H2,1-2H3,(H,31,33)/t18-,24-,25-/m0/s1
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 3.50E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314476
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(7-phenylth...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(ccnc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)25(34)31-23(20-12-7-4-8-13-20)28(35)33-17-9-14-22(33)26-32-24-21(15-16-30-27(24)36-26)19-10-5-3-6-11-19/h3,5-6,10-11,15-16,18,20,22-23,29H,4,7-9,12-14,17H2,1-2H3,(H,31,34)/t18-,22-,23-/m0/s1
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 3.60E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314467
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-phenylbe...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H36N4O2S/c1-19(30-2)27(34)31-25(21-13-7-4-8-14-21)29(35)33-18-10-16-23(33)28-32-26-22(15-9-17-24(26)36-28)20-11-5-3-6-12-20/h3,5-6,9,11-12,15,17,19,21,23,25,30H,4,7-8,10,13-14,16,18H2,1-2H3,(H,31,34)/t19-,23-,25-/m0/s1
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 3.60E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314480
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-phenylth...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(nccc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)26(34)31-24(20-12-7-4-8-13-20)28(35)33-17-9-14-21(33)27-32-25-22(36-27)15-16-30-23(25)19-10-5-3-6-11-19/h3,5-6,10-11,15-16,18,20-21,24,29H,4,7-9,12-14,17H2,1-2H3,(H,31,34)/t18-,21-,24-/m0/s1
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 3.70E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314461
PNG
((2S)-2-(methylamino)-N-((1S)-2-((2S)-2-(4-(naphtha...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(c(s1)C#CC)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C31H36N4O3S/c1-4-9-26-28(24-13-7-11-21-10-5-6-12-23(21)24)34-30(39-26)25-14-8-17-35(25)31(37)27(22-15-18-38-19-16-22)33-29(36)20(2)32-3/h5-7,10-13,20,22,25,27,32H,8,14-19H2,1-3H3,(H,33,36)/t20-,25-,27-/m0/s1
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 3.80E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314451
PNG
((S)-N-((S)-2-((S)-2-(4-(4-fluoronaphthalen-1-yl)th...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1ccc(F)c2ccccc12 |r|
Show InChI InChI=1S/C28H33FN4O3S/c1-17(30-2)26(34)32-25(18-11-14-36-15-12-18)28(35)33-13-5-8-24(33)27-31-23(16-37-27)21-9-10-22(29)20-7-4-3-6-19(20)21/h3-4,6-7,9-10,16-18,24-25,30H,5,8,11-15H2,1-2H3,(H,32,34)/t17-,24-,25-/m0/s1
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 4.00E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314476
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(7-phenylth...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(ccnc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)25(34)31-23(20-12-7-4-8-13-20)28(35)33-17-9-14-22(33)26-32-24-21(15-16-30-27(24)36-26)19-10-5-3-6-11-19/h3,5-6,10-11,15-16,18,20,22-23,29H,4,7-9,12-14,17H2,1-2H3,(H,31,34)/t18-,22-,23-/m0/s1
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 4.10E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314475
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(4-fluoropheny...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C29H35FN4O2S/c1-18(31-2)27(35)32-25(20-8-4-3-5-9-20)29(36)34-17-7-11-23(34)28-33-26-22(10-6-12-24(26)37-28)19-13-15-21(30)16-14-19/h6,10,12-16,18,20,23,25,31H,3-5,7-9,11,17H2,1-2H3,(H,32,35)/t18-,23-,25-/m0/s1
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 4.40E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314452
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-(quinoli...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)26(34)32-25(19-9-4-3-5-10-19)28(35)33-16-8-13-24(33)27-31-23(17-36-27)21-14-15-30-22-12-7-6-11-20(21)22/h6-7,11-12,14-15,17-19,24-25,29H,3-5,8-10,13,16H2,1-2H3,(H,32,34)/t18-,24-,25-/m0/s1
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 4.50E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314475
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(4-fluoropheny...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C29H35FN4O2S/c1-18(31-2)27(35)32-25(20-8-4-3-5-9-20)29(36)34-17-7-11-23(34)28-33-26-22(10-6-12-24(26)37-28)19-13-15-21(30)16-14-19/h6,10,12-16,18,20,23,25,31H,3-5,7-9,11,17H2,1-2H3,(H,32,35)/t18-,23-,25-/m0/s1
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 4.50E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314473
PNG
((2S)-N-((1S)-1-cyclohexyl-2-((2S)-2-(4-(2-fluoroph...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1ccccc1F |r|
Show InChI InChI=1S/C29H35FN4O2S/c1-18(31-2)27(35)32-25(19-10-4-3-5-11-19)29(36)34-17-9-15-23(34)28-33-26-21(13-8-16-24(26)37-28)20-12-6-7-14-22(20)30/h6-8,12-14,16,18-19,23,25,31H,3-5,9-11,15,17H2,1-2H3,(H,32,35)/t18-,23-,25-/m0/s1
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 4.60E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314456
PNG
((S)-N-((S)-1-((S)-2-(4-(benzo[b]thiophen-3-yl)thia...)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(cs1)-c1csc2ccccc12)C(C)(C)C |r|
Show InChI InChI=1S/C25H32N4O2S2/c1-15(26-5)22(30)28-21(25(2,3)4)24(31)29-12-8-10-19(29)23-27-18(14-33-23)17-13-32-20-11-7-6-9-16(17)20/h6-7,9,11,13-15,19,21,26H,8,10,12H2,1-5H3,(H,28,30)/t15-,19-,21+/m0/s1
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 4.70E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314474
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(3-fluoropheny...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C29H35FN4O2S/c1-18(31-2)27(35)32-25(19-9-4-3-5-10-19)29(36)34-16-8-14-23(34)28-33-26-22(13-7-15-24(26)37-28)20-11-6-12-21(30)17-20/h6-7,11-13,15,17-19,23,25,31H,3-5,8-10,14,16H2,1-2H3,(H,32,35)/t18-,23-,25-/m0/s1
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 4.90E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314477
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(7-phenylth...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cncc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)26(34)31-24(20-12-7-4-8-13-20)28(35)33-15-9-14-22(33)27-32-25-21(16-30-17-23(25)36-27)19-10-5-3-6-11-19/h3,5-6,10-11,16-18,20,22,24,29H,4,7-9,12-15H2,1-2H3,(H,31,34)/t18-,22-,24-/m0/s1
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 4.90E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314468
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-(pyridin...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1cccnc1 |r|
Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)26(34)31-24(19-9-4-3-5-10-19)28(35)33-16-8-13-22(33)27-32-25-21(12-6-14-23(25)36-27)20-11-7-15-30-17-20/h6-7,11-12,14-15,17-19,22,24,29H,3-5,8-10,13,16H2,1-2H3,(H,31,34)/t18-,22-,24-/m0/s1
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 5.00E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314479
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(5-methyl-7-pheny...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(nc(C)nc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H36N6O2S/c1-17(29-3)25(35)32-23(20-13-8-5-9-14-20)28(36)34-16-10-15-21(34)26-33-24-22(19-11-6-4-7-12-19)30-18(2)31-27(24)37-26/h4,6-7,11-12,17,20-21,23,29H,5,8-10,13-16H2,1-3H3,(H,32,35)/t17-,21-,23-/m0/s1
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 5.10E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314467
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-phenylbe...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H36N4O2S/c1-19(30-2)27(34)31-25(21-13-7-4-8-14-21)29(35)33-18-10-16-23(33)28-32-26-22(15-9-17-24(26)36-28)20-11-5-3-6-12-20/h3,5-6,9,11-12,15,17,19,21,23,25,30H,4,7-8,10,13-14,16,18H2,1-2H3,(H,31,34)/t19-,23-,25-/m0/s1
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 5.30E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314471
PNG
((S)-N-((S)-2-((S)-2-(4-(3-chlorophenyl)benzo[d]thi...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C29H35ClN4O2S/c1-18(31-2)27(35)32-25(19-9-4-3-5-10-19)29(36)34-16-8-14-23(34)28-33-26-22(13-7-15-24(26)37-28)20-11-6-12-21(30)17-20/h6-7,11-13,15,17-19,23,25,31H,3-5,8-10,14,16H2,1-2H3,(H,32,35)/t18-,23-,25-/m0/s1
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 5.50E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314472
PNG
((S)-N-((S)-2-((S)-2-(4-(4-chlorophenyl)benzo[d]thi...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H35ClN4O2S/c1-18(31-2)27(35)32-25(20-8-4-3-5-9-20)29(36)34-17-7-11-23(34)28-33-26-22(10-6-12-24(26)37-28)19-13-15-21(30)16-14-19/h6,10,12-16,18,20,23,25,31H,3-5,7-9,11,17H2,1-2H3,(H,32,35)/t18-,23-,25-/m0/s1
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 5.80E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314469
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-(pyridin...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1ccncc1 |r|
Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)26(34)31-24(20-8-4-3-5-9-20)28(35)33-17-7-11-22(33)27-32-25-21(10-6-12-23(25)36-27)19-13-15-30-16-14-19/h6,10,12-16,18,20,22,24,29H,3-5,7-9,11,17H2,1-2H3,(H,31,34)/t18-,22-,24-/m0/s1
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 6.00E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314447
PNG
((S)-N-((S)-3,3-dimethyl-1-((S)-2-(4-(naphthalen-1-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(cs1)-c1cccc2ccccc12)C(C)(C)C |r|
Show InChI InChI=1S/C27H34N4O2S/c1-17(28-5)24(32)30-23(27(2,3)4)26(33)31-15-9-14-22(31)25-29-21(16-34-25)20-13-8-11-18-10-6-7-12-19(18)20/h6-8,10-13,16-17,22-23,28H,9,14-15H2,1-5H3,(H,30,32)/t17-,22-,23+/m0/s1
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 6.80E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314457
PNG
((2S)-N-((1S)-2-((2S)-2-(5-fluoro-4-(naphthalen-1-y...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(c(F)s1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C28H33FN4O3S/c1-17(30-2)26(34)31-23(19-12-15-36-16-13-19)28(35)33-14-6-11-22(33)27-32-24(25(29)37-27)21-10-5-8-18-7-3-4-9-20(18)21/h3-5,7-10,17,19,22-23,30H,6,11-16H2,1-2H3,(H,31,34)/t17-,22-,23-/m0/s1
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 6.80E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314450
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(4-fluoronapht...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1ccc(F)c2ccccc12 |r|
Show InChI InChI=1S/C29H35FN4O2S/c1-18(31-2)27(35)33-26(19-9-4-3-5-10-19)29(36)34-16-8-13-25(34)28-32-24(17-37-28)22-14-15-23(30)21-12-7-6-11-20(21)22/h6-7,11-12,14-15,17-19,25-26,31H,3-5,8-10,13,16H2,1-2H3,(H,33,35)/t18-,25-,26-/m0/s1
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 6.80E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314472
PNG
((S)-N-((S)-2-((S)-2-(4-(4-chlorophenyl)benzo[d]thi...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H35ClN4O2S/c1-18(31-2)27(35)32-25(20-8-4-3-5-9-20)29(36)34-17-7-11-23(34)28-33-26-22(10-6-12-24(26)37-28)19-13-15-21(30)16-14-19/h6,10,12-16,18,20,23,25,31H,3-5,7-9,11,17H2,1-2H3,(H,32,35)/t18-,23-,25-/m0/s1
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 6.80E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314448
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(naphthalen-1-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H36N4O2S/c1-19(30-2)27(34)32-26(21-11-4-3-5-12-21)29(35)33-17-9-16-25(33)28-31-24(18-36-28)23-15-8-13-20-10-6-7-14-22(20)23/h6-8,10,13-15,18-19,21,25-26,30H,3-5,9,11-12,16-17H2,1-2H3,(H,32,34)/t19-,25-,26-/m0/s1
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 6.80E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314459
PNG
((2S)-N-((1S)-2-((2S)-2-(5-cyano-4-(naphthalen-1-yl...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(c(s1)C#N)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H33N5O3S/c1-18(31-2)27(35)32-25(20-12-15-37-16-13-20)29(36)34-14-6-11-23(34)28-33-26(24(17-30)38-28)22-10-5-8-19-7-3-4-9-21(19)22/h3-5,7-10,18,20,23,25,31H,6,11-16H2,1-2H3,(H,32,35)/t18-,23-,25-/m0/s1
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 6.90E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314477
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(7-phenylth...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cncc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)26(34)31-24(20-12-7-4-8-13-20)28(35)33-15-9-14-22(33)27-32-25-21(16-30-17-23(25)36-27)19-10-5-3-6-11-19/h3,5-6,10-11,16-18,20,22,24,29H,4,7-9,12-15H2,1-2H3,(H,31,34)/t18-,22-,24-/m0/s1
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 7.30E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314452
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-(quinoli...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)26(34)32-25(19-9-4-3-5-10-19)28(35)33-16-8-13-24(33)27-31-23(17-36-27)21-14-15-30-22-12-7-6-11-20(21)22/h6-7,11-12,14-15,17-19,24-25,29H,3-5,8-10,13,16H2,1-2H3,(H,32,34)/t18-,24-,25-/m0/s1
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 7.50E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314449
PNG
((S)-2-(methylamino)-N-((S)-2-((S)-2-(4-(naphthalen...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C28H34N4O3S/c1-18(29-2)26(33)31-25(20-12-15-35-16-13-20)28(34)32-14-6-11-24(32)27-30-23(17-36-27)22-10-5-8-19-7-3-4-9-21(19)22/h3-5,7-10,17-18,20,24-25,29H,6,11-16H2,1-2H3,(H,31,33)/t18-,24-,25-/m0/s1
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 1.00E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314454
PNG
((S)-N-((S)-2-((S)-2-(4-(benzofuran-3-yl)thiazol-2-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1coc2ccccc12 |r|
Show InChI InChI=1S/C27H34N4O3S/c1-17(28-2)25(32)30-24(18-9-4-3-5-10-18)27(33)31-14-8-12-22(31)26-29-21(16-35-26)20-15-34-23-13-7-6-11-19(20)23/h6-7,11,13,15-18,22,24,28H,3-5,8-10,12,14H2,1-2H3,(H,30,32)/t17-,22-,24-/m0/s1
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 1.00E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314448
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(naphthalen-1-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H36N4O2S/c1-19(30-2)27(34)32-26(21-11-4-3-5-12-21)29(35)33-17-9-16-25(33)28-31-24(18-36-28)23-15-8-13-20-10-6-7-14-22(20)23/h6-8,10,13-15,18-19,21,25-26,30H,3-5,9,11-12,16-17H2,1-2H3,(H,32,34)/t19-,25-,26-/m0/s1
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 1.10E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314455
PNG
((S)-N-((S)-2-((S)-2-(4-(benzo[d]isoxazol-3-yl)thia...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1noc2ccccc12 |r|
Show InChI InChI=1S/C26H33N5O3S/c1-16(27-2)24(32)29-22(17-9-4-3-5-10-17)26(33)31-14-8-12-20(31)25-28-19(15-35-25)23-18-11-6-7-13-21(18)34-30-23/h6-7,11,13,15-17,20,22,27H,3-5,8-10,12,14H2,1-2H3,(H,29,32)/t16-,20-,22-/m0/s1
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 1.20E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314456
PNG
((S)-N-((S)-1-((S)-2-(4-(benzo[b]thiophen-3-yl)thia...)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(cs1)-c1csc2ccccc12)C(C)(C)C |r|
Show InChI InChI=1S/C25H32N4O2S2/c1-15(26-5)22(30)28-21(25(2,3)4)24(31)29-12-8-10-19(29)23-27-18(14-33-23)17-13-32-20-11-7-6-9-16(17)20/h6-7,9,11,13-15,19,21,26H,8,10,12H2,1-5H3,(H,28,30)/t15-,19-,21+/m0/s1
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 1.20E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314455
PNG
((S)-N-((S)-2-((S)-2-(4-(benzo[d]isoxazol-3-yl)thia...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1noc2ccccc12 |r|
Show InChI InChI=1S/C26H33N5O3S/c1-16(27-2)24(32)29-22(17-9-4-3-5-10-17)26(33)31-14-8-12-20(31)25-28-19(15-35-25)23-18-11-6-7-13-21(18)34-30-23/h6-7,11,13,15-17,20,22,27H,3-5,8-10,12,14H2,1-2H3,(H,29,32)/t16-,20-,22-/m0/s1
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 1.30E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314478
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(7-phenylth...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(ncnc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H34N6O2S/c1-17(28-2)24(34)31-22(19-12-7-4-8-13-19)27(35)33-15-9-14-20(33)25-32-23-21(18-10-5-3-6-11-18)29-16-30-26(23)36-25/h3,5-6,10-11,16-17,19-20,22,28H,4,7-9,12-15H2,1-2H3,(H,31,34)/t17-,20-,22-/m0/s1
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 1.30E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314474
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(3-fluoropheny...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C29H35FN4O2S/c1-18(31-2)27(35)32-25(19-9-4-3-5-10-19)29(36)34-16-8-14-23(34)28-33-26-22(13-7-15-24(26)37-28)20-11-6-12-21(30)17-20/h6-7,11-13,15,17-19,23,25,31H,3-5,8-10,14,16H2,1-2H3,(H,32,35)/t18-,23-,25-/m0/s1
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 1.30E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314473
PNG
((2S)-N-((1S)-1-cyclohexyl-2-((2S)-2-(4-(2-fluoroph...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1ccccc1F |r|
Show InChI InChI=1S/C29H35FN4O2S/c1-18(31-2)27(35)32-25(19-10-4-3-5-11-19)29(36)34-17-9-15-23(34)28-33-26-21(13-8-16-24(26)37-28)20-12-6-7-14-22(20)30/h6-8,12-14,16,18-19,23,25,31H,3-5,9-11,15,17H2,1-2H3,(H,32,35)/t18-,23-,25-/m0/s1
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 1.30E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314453
PNG
((S)-N-((S)-3,3-dimethyl-1-oxo-1-((S)-2-(4-(quinoli...)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(cs1)-c1ccnc2ccccc12)C(C)(C)C |r|
Show InChI InChI=1S/C26H33N5O2S/c1-16(27-5)23(32)30-22(26(2,3)4)25(33)31-14-8-11-21(31)24-29-20(15-34-24)18-12-13-28-19-10-7-6-9-17(18)19/h6-7,9-10,12-13,15-16,21-22,27H,8,11,14H2,1-5H3,(H,30,32)/t16-,21-,22+/m0/s1
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 1.30E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314451
PNG
((S)-N-((S)-2-((S)-2-(4-(4-fluoronaphthalen-1-yl)th...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1ccc(F)c2ccccc12 |r|
Show InChI InChI=1S/C28H33FN4O3S/c1-17(30-2)26(34)32-25(18-11-14-36-15-12-18)28(35)33-13-5-8-24(33)27-31-23(16-37-27)21-9-10-22(29)20-7-4-3-6-19(20)21/h3-4,6-7,9-10,16-18,24-25,30H,5,8,11-15H2,1-2H3,(H,32,34)/t17-,24-,25-/m0/s1
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 1.40E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314463
PNG
((2S)-N-((1S)-2-((2S)-2-(5-(3-hydroxyprop-1-ynyl)-4...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(c(s1)C#CCO)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C31H36N4O4S/c1-20(32-2)29(37)33-27(22-14-18-39-19-15-22)31(38)35-16-6-12-25(35)30-34-28(26(40-30)13-7-17-36)24-11-5-9-21-8-3-4-10-23(21)24/h3-5,8-11,20,22,25,27,32,36H,6,12,14-19H2,1-2H3,(H,33,37)/t20-,25-,27-/m0/s1
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 1.40E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314471
PNG
((S)-N-((S)-2-((S)-2-(4-(3-chlorophenyl)benzo[d]thi...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C29H35ClN4O2S/c1-18(31-2)27(35)32-25(19-9-4-3-5-10-19)29(36)34-16-8-14-23(34)28-33-26-22(13-7-15-24(26)37-28)20-11-6-12-21(30)17-20/h6-7,11-13,15,17-19,23,25,31H,3-5,8-10,14,16H2,1-2H3,(H,32,35)/t18-,23-,25-/m0/s1
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 1.40E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314462
PNG
((2S)-N-((1S)-2-((2S)-2-(5-(3-methoxyprop-1-ynyl)-4...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(c(s1)C#CCOC)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C32H38N4O4S/c1-21(33-2)30(37)34-28(23-15-19-40-20-16-23)32(38)36-17-7-13-26(36)31-35-29(27(41-31)14-8-18-39-3)25-12-6-10-22-9-4-5-11-24(22)25/h4-6,9-12,21,23,26,28,33H,7,13,15-20H2,1-3H3,(H,34,37)/t21-,26-,28-/m0/s1
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 1.40E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314466
PNG
((S)-N-((S)-2-((S)-2-(4-benzylbenzo[d]thiazol-2-yl)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(Cc3ccccc3)cccc2s1 |r|
Show InChI InChI=1S/C30H38N4O2S/c1-20(31-2)28(35)32-27(22-13-7-4-8-14-22)30(36)34-18-10-16-24(34)29-33-26-23(15-9-17-25(26)37-29)19-21-11-5-3-6-12-21/h3,5-6,9,11-12,15,17,20,22,24,27,31H,4,7-8,10,13-14,16,18-19H2,1-2H3,(H,32,35)/t20-,24-,27-/m0/s1
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 1.50E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314461
PNG
((2S)-2-(methylamino)-N-((1S)-2-((2S)-2-(4-(naphtha...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(c(s1)C#CC)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C31H36N4O3S/c1-4-9-26-28(24-13-7-11-21-10-5-6-12-23(21)24)34-30(39-26)25-14-8-17-35(25)31(37)27(22-15-18-38-19-16-22)33-29(36)20(2)32-3/h5-7,10-13,20,22,25,27,32H,8,14-19H2,1-3H3,(H,33,36)/t20-,25-,27-/m0/s1
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 1.60E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314460
PNG
((2S)-N-((1S)-2-((2S)-2-(5-ethynyl-4-(naphthalen-1-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(c(s1)C#C)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C30H34N4O3S/c1-4-25-27(23-12-7-10-20-9-5-6-11-22(20)23)33-29(38-25)24-13-8-16-34(24)30(36)26(21-14-17-37-18-15-21)32-28(35)19(2)31-3/h1,5-7,9-12,19,21,24,26,31H,8,13-18H2,2-3H3,(H,32,35)/t19-,24-,26-/m0/s1
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 1.60E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314470
PNG
((2S)-N-((1S)-2-((2S)-2-(4-(2-chlorophenyl)benzo[d]...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C29H35ClN4O2S/c1-18(31-2)27(35)32-25(19-10-4-3-5-11-19)29(36)34-17-9-15-23(34)28-33-26-21(13-8-16-24(26)37-28)20-12-6-7-14-22(20)30/h6-8,12-14,16,18-19,23,25,31H,3-5,9-11,15,17H2,1-2H3,(H,32,35)/t18-,23-,25-/m0/s1
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 1.60E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314453
PNG
((S)-N-((S)-3,3-dimethyl-1-oxo-1-((S)-2-(4-(quinoli...)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(cs1)-c1ccnc2ccccc12)C(C)(C)C |r|
Show InChI InChI=1S/C26H33N5O2S/c1-16(27-5)23(32)30-22(26(2,3)4)25(33)31-14-8-11-21(31)24-29-20(15-34-24)18-12-13-28-19-10-7-6-9-17(18)19/h6-7,9-10,12-13,15-16,21-22,27H,8,11,14H2,1-5H3,(H,30,32)/t16-,21-,22+/m0/s1
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 1.80E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314465
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-isopropylbenzo...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)C(C)C |r|
Show InChI InChI=1S/C26H38N4O2S/c1-16(2)19-12-8-14-21-23(19)29-25(33-21)20-13-9-15-30(20)26(32)22(18-10-6-5-7-11-18)28-24(31)17(3)27-4/h8,12,14,16-18,20,22,27H,5-7,9-11,13,15H2,1-4H3,(H,28,31)/t17-,20-,22-/m0/s1
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 1.90E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314446
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-phenylth...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H34N4O2S/c1-17(26-2)23(30)28-22(19-12-7-4-8-13-19)25(31)29-15-9-14-21(29)24-27-20(16-32-24)18-10-5-3-6-11-18/h3,5-6,10-11,16-17,19,21-22,26H,4,7-9,12-15H2,1-2H3,(H,28,30)/t17-,21-,22-/m0/s1
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 1.90E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314454
PNG
((S)-N-((S)-2-((S)-2-(4-(benzofuran-3-yl)thiazol-2-...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1coc2ccccc12 |r|
Show InChI InChI=1S/C27H34N4O3S/c1-17(28-2)25(32)30-24(18-9-4-3-5-10-18)27(33)31-14-8-12-22(31)26-29-21(16-35-26)20-15-34-23-13-7-6-11-19(20)23/h6-7,11,13,15-18,22,24,28H,3-5,8-10,12,14H2,1-2H3,(H,30,32)/t17-,22-,24-/m0/s1
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 2.00E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314468
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-(pyridin...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1cccnc1 |r|
Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)26(34)31-24(19-9-4-3-5-10-19)28(35)33-16-8-13-22(33)27-32-25-21(12-6-14-23(25)36-27)20-11-7-15-30-17-20/h6-7,11-12,14-15,17-19,22,24,29H,3-5,8-10,13,16H2,1-2H3,(H,31,34)/t18-,22-,24-/m0/s1
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 2.00E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314458
PNG
((2S)-N-((1S)-2-((2S)-2-(5-chloro-4-(naphthalen-1-y...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(c(Cl)s1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H35ClN4O2S/c1-18(31-2)27(35)32-24(20-11-4-3-5-12-20)29(36)34-17-9-16-23(34)28-33-25(26(30)37-28)22-15-8-13-19-10-6-7-14-21(19)22/h6-8,10,13-15,18,20,23-24,31H,3-5,9,11-12,16-17H2,1-2H3,(H,32,35)/t18-,23-,24-/m0/s1
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 2.10E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314447
PNG
((S)-N-((S)-3,3-dimethyl-1-((S)-2-(4-(naphthalen-1-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(cs1)-c1cccc2ccccc12)C(C)(C)C |r|
Show InChI InChI=1S/C27H34N4O2S/c1-17(28-5)24(32)30-23(27(2,3)4)26(33)31-15-9-14-22(31)25-29-21(16-34-25)20-13-8-11-18-10-6-7-12-19(18)20/h6-8,10-13,16-17,22-23,28H,9,14-15H2,1-5H3,(H,30,32)/t17-,22-,23+/m0/s1
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 2.20E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314478
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(7-phenylth...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(ncnc2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H34N6O2S/c1-17(28-2)24(34)31-22(19-12-7-4-8-13-19)27(35)33-15-9-14-20(33)25-32-23-21(18-10-5-3-6-11-18)29-16-30-26(23)36-25/h3,5-6,10-11,16-17,19-20,22,28H,4,7-9,12-15H2,1-2H3,(H,31,34)/t17-,20-,22-/m0/s1
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 2.60E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314469
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-(pyridin...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1ccncc1 |r|
Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)26(34)31-24(20-8-4-3-5-9-20)28(35)33-17-7-11-22(33)27-32-25-21(10-6-12-23(25)36-27)19-13-15-30-16-14-19/h6,10,12-16,18,20,22,24,29H,3-5,7-9,11,17H2,1-2H3,(H,31,34)/t18-,22-,24-/m0/s1
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 4.60E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314466
PNG
((S)-N-((S)-2-((S)-2-(4-benzylbenzo[d]thiazol-2-yl)...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(Cc3ccccc3)cccc2s1 |r|
Show InChI InChI=1S/C30H38N4O2S/c1-20(31-2)28(35)32-27(22-13-7-4-8-14-22)30(36)34-18-10-16-24(34)29-33-26-23(15-9-17-25(26)37-29)19-21-11-5-3-6-12-21/h3,5-6,9,11-12,15,17,20,22,24,27,31H,4,7-8,10,13-14,16,18-19H2,1-2H3,(H,32,35)/t20-,24-,27-/m0/s1
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 7.10E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314470
PNG
((2S)-N-((1S)-2-((2S)-2-(4-(2-chlorophenyl)benzo[d]...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C29H35ClN4O2S/c1-18(31-2)27(35)32-25(19-10-4-3-5-11-19)29(36)34-17-9-15-23(34)28-33-26-21(13-8-16-24(26)37-28)20-12-6-7-14-22(20)30/h6-8,12-14,16,18-19,23,25,31H,3-5,9-11,15,17H2,1-2H3,(H,32,35)/t18-,23-,25-/m0/s1
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 7.30E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP


(Homo sapiens (Human))		BDBM50314464
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-methylbenzo[d]...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(C)cccc2s1 |r|
Show InChI InChI=1S/C24H34N4O2S/c1-15-9-7-13-19-20(15)27-23(31-19)18-12-8-14-28(18)24(30)21(17-10-5-4-6-11-17)26-22(29)16(2)25-3/h7,9,13,16-18,21,25H,4-6,8,10-12,14H2,1-3H3,(H,26,29)/t16-,18-,21-/m0/s1
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 9.40E+5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314446
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-phenylth...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H34N4O2S/c1-17(26-2)23(30)28-22(19-12-7-4-8-13-19)25(31)29-15-9-14-21(29)24-27-20(16-32-24)18-10-5-3-6-11-18/h3,5-6,10-11,16-17,19,21-22,26H,4,7-9,12-15H2,1-2H3,(H,28,30)/t17-,21-,22-/m0/s1
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 1.20E+6n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314464
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-methylbenzo[d]...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(C)cccc2s1 |r|
Show InChI InChI=1S/C24H34N4O2S/c1-15-9-7-13-19-20(15)27-23(31-19)18-12-8-14-28(18)24(30)21(17-10-5-4-6-11-17)26-22(29)16(2)25-3/h7,9,13,16-18,21,25H,4-6,8,10-12,14H2,1-3H3,(H,26,29)/t16-,18-,21-/m0/s1
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 2.70E+6n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))		BDBM50314465
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-isopropylbenzo...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)C(C)C |r|
Show InChI InChI=1S/C26H38N4O2S/c1-16(2)19-12-8-14-21-23(19)29-25(33-21)20-13-9-15-30(20)26(32)22(18-10-6-5-7-11-18)28-24(31)17(3)27-4/h8,12,14,16-18,20,22,27H,5-7,9-11,13,15H2,1-4H3,(H,28,31)/t17-,20-,22-/m0/s1
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 2.80E+6n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%