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Compile Data Set for Download or QSAR

Found 516 hits Enz. Inhib. hit(s) with Target = 'Caspase-9'   
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
Caspase-9


(Homo sapiens (human))
BDBM89489
PNG
(3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-...)
Show SMILES CC(Cn1nc(C)c(Br)c1C)C(O)=O
Show InChI InChI=1S/C9H13BrN2O2/c1-5(9(13)14)4-12-7(3)8(10)6(2)11-12/h5H,4H2,1-3H3,(H,13,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM80137
PNG
(3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...)
Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1
Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM84003
PNG
(3-(1H-indol-3-yl)-2-methyl-propanoic acid | 3-(1H-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C12H13NO2/c1-8(12(14)15)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6H2,1H3,(H,14,15)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89489
PNG
(3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-...)
Show SMILES CC(Cn1nc(C)c(Br)c1C)C(O)=O
Show InChI InChI=1S/C9H13BrN2O2/c1-5(9(13)14)4-12-7(3)8(10)6(2)11-12/h5H,4H2,1-3H3,(H,13,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM80137
PNG
(3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...)
Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1
Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM50118591
PNG
((R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5...)
Show SMILES COc1ccc(cc1)C1=NOC(C1)C(O)=O
Show InChI InChI=1S/C11H11NO4/c1-15-8-4-2-7(3-5-8)9-6-10(11(13)14)16-12-9/h2-5,10H,6H2,1H3,(H,13,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89508
PNG
(2-methyl-3-(4-morpholinyl)propanoic acid | 2-methy...)
Show SMILES CC(CN1CCOCC1)C(O)=O
Show InChI InChI=1S/C8H15NO3/c1-7(8(10)11)6-9-2-4-12-5-3-9/h7H,2-6H2,1H3,(H,10,11)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89507
PNG
(2-methyl-3-(1-pyrrolidinyl)propanoic acid | 2-meth...)
Show SMILES CC(CN1CCCC1)C(O)=O
Show InChI InChI=1S/C8H15NO2/c1-7(8(10)11)6-9-4-2-3-5-9/h7H,2-6H2,1H3,(H,10,11)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89506
PNG
(3-(2-methoxyphenyl)-2-isoxazoline-5-carboxylic aci...)
Show SMILES COc1ccccc1C1=NOC(C1)C(O)=O
Show InChI InChI=1S/C11H11NO4/c1-15-9-5-3-2-4-7(9)8-6-10(11(13)14)16-12-8/h2-5,10H,6H2,1H3,(H,13,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89505
PNG
(1-(1-pyrazolylmethyl)-1-cyclopropanecarboxylic aci...)
Show SMILES OC(=O)C1(Cn2cccn2)CC1
Show InChI InChI=1S/C8H10N2O2/c11-7(12)8(2-3-8)6-10-5-1-4-9-10/h1,4-5H,2-3,6H2,(H,11,12)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89504
PNG
(3-(1-benzotriazolyl)-2-methylpropanoic acid | 3-(b...)
Show SMILES CC(Cn1nnc2ccccc12)C(O)=O
Show InChI InChI=1S/C10H11N3O2/c1-7(10(14)15)6-13-9-5-3-2-4-8(9)11-12-13/h2-5,7H,6H2,1H3,(H,14,15)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89490
PNG
(3-(3,5-dimethyl-1-pyrazolyl)-2-methylbutanoic acid...)
Show SMILES CC(C(C)n1nc(C)cc1C)C(O)=O
Show InChI InChI=1S/C10H16N2O2/c1-6-5-7(2)12(11-6)9(4)8(3)10(13)14/h5,8-9H,1-4H3,(H,13,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89502
PNG
(2-methyl-3-(2-methyl-1-benzimidazolyl)propanoic ac...)
Show SMILES CC(Cn1c(C)nc2ccccc12)C(O)=O
Show InChI InChI=1S/C12H14N2O2/c1-8(12(15)16)7-14-9(2)13-10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3,(H,15,16)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM84003
PNG
(3-(1H-indol-3-yl)-2-methyl-propanoic acid | 3-(1H-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C12H13NO2/c1-8(12(14)15)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6H2,1H3,(H,14,15)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM80137
PNG
(3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...)
Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1
Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89489
PNG
(3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-...)
Show SMILES CC(Cn1nc(C)c(Br)c1C)C(O)=O
Show InChI InChI=1S/C9H13BrN2O2/c1-5(9(13)14)4-12-7(3)8(10)6(2)11-12/h5H,4H2,1-3H3,(H,13,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89490
PNG
(3-(3,5-dimethyl-1-pyrazolyl)-2-methylbutanoic acid...)
Show SMILES CC(C(C)n1nc(C)cc1C)C(O)=O
Show InChI InChI=1S/C10H16N2O2/c1-6-5-7(2)12(11-6)9(4)8(3)10(13)14/h5,8-9H,1-4H3,(H,13,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89491
PNG
(2-methyl-3-(1-pyrazolyl)propanoic acid | 2-methyl-...)
Show SMILES CC(Cn1cccn1)C(O)=O
Show InChI InChI=1S/C7H10N2O2/c1-6(7(10)11)5-9-4-2-3-8-9/h2-4,6H,5H2,1H3,(H,10,11)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89493
PNG
((3E)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)isoxazo...)
Show SMILES OC(=O)C1CC(=NO1)c1ccccc1O
Show InChI InChI=1S/C10H9NO4/c12-8-4-2-1-3-6(8)7-5-9(10(13)14)15-11-7/h1-4,9,12H,5H2,(H,13,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89494
PNG
(3-(2-chlorophenyl)-2-isoxazoline-5-carboxylic acid...)
Show SMILES OC(=O)C1CC(=NO1)c1ccccc1Cl
Show InChI InChI=1S/C10H8ClNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89495
PNG
(3-(3-bromophenyl)-2-isoxazoline-5-carboxylic acid ...)
Show SMILES OC(=O)C1CC(=NO1)c1cccc(Br)c1
Show InChI InChI=1S/C10H8BrNO3/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89496
PNG
(3-(2-chloranyl-6-fluoranyl-phenyl)-4,5-dihydro-1,2...)
Show SMILES OC(=O)C1CC(=NO1)c1c(F)cccc1Cl
Show InChI InChI=1S/C10H7ClFNO3/c11-5-2-1-3-6(12)9(5)7-4-8(10(14)15)16-13-7/h1-3,8H,4H2,(H,14,15)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89492
PNG
(3-(5-chloranyl-2,4-dimethoxy-phenyl)-4,5-dihydro-1...)
Show SMILES COc1cc(OC)c(cc1Cl)C1=NOC(C1)C(O)=O
Show InChI InChI=1S/C12H12ClNO5/c1-17-9-5-10(18-2)7(13)3-6(9)8-4-11(12(15)16)19-14-8/h3,5,11H,4H2,1-2H3,(H,15,16)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89497
PNG
(3-(2,5-dimethoxyphenyl)-2-isoxazoline-5-carboxylic...)
Show SMILES COc1ccc(OC)c(c1)C1=NOC(C1)C(O)=O
Show InChI InChI=1S/C12H13NO5/c1-16-7-3-4-10(17-2)8(5-7)9-6-11(12(14)15)18-13-9/h3-5,11H,6H2,1-2H3,(H,14,15)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89498
PNG
(2-methyl-3-(1-piperidinyl)propanoic acid | 2-methy...)
Show SMILES CC(CN1CCCCC1)C(O)=O
Show InChI InChI=1S/C9H17NO2/c1-8(9(11)12)7-10-5-3-2-4-6-10/h8H,2-7H2,1H3,(H,11,12)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89499
PNG
(3-(1-benzimidazolyl)-2-methylpropanoic acid | 3-(b...)
Show SMILES CC(Cn1cnc2ccccc12)C(O)=O
Show InChI InChI=1S/C11H12N2O2/c1-8(11(14)15)6-13-7-12-9-4-2-3-5-10(9)13/h2-5,7-8H,6H2,1H3,(H,14,15)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89500
PNG
(2-methyl-3-(1-phenylethylamino)propanoic acid | 2-...)
Show SMILES CC(CNC(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C12H17NO2/c1-9(12(14)15)8-13-10(2)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,14,15)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89501
PNG
(2-methyl-3-(3,4,5-trimethyl-1-pyrazolyl)propanoic ...)
Show SMILES CC(Cn1nc(C)c(C)c1C)C(O)=O
Show InChI InChI=1S/C10H16N2O2/c1-6(10(13)14)5-12-9(4)7(2)8(3)11-12/h6H,5H2,1-4H3,(H,13,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q20P0XMR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM10323
PNG
((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1
Show InChI InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1
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120n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...


J Med Chem 44: 2015-26 (2001)


Article DOI: 10.1021/jm0100537
BindingDB Entry DOI: 10.7270/Q2ZW1J42
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM10315
PNG
((S)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}i...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1CNc1ccccc1
Show InChI InChI=1S/C19H19N3O4S/c23-18-16-11-15(8-9-17(16)21-19(18)24)27(25,26)22-10-4-7-14(22)12-20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,20H,4,7,10,12H2,(H,21,23,24)/t14-/m0/s1
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850n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...


J Med Chem 44: 2015-26 (2001)


Article DOI: 10.1021/jm0100537
BindingDB Entry DOI: 10.7270/Q2ZW1J42
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM10305
PNG
((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...


J Med Chem 44: 2015-26 (2001)


Article DOI: 10.1021/jm0100537
BindingDB Entry DOI: 10.7270/Q2ZW1J42
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM10318
PNG
((S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}i...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1
Show InChI InChI=1S/C19H18N2O5S/c22-18-16-11-15(8-9-17(16)20-19(18)23)27(24,25)21-10-4-5-13(21)12-26-14-6-2-1-3-7-14/h1-3,6-9,11,13H,4-5,10,12H2,(H,20,22,23)/t13-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...


J Med Chem 44: 2015-26 (2001)


Article DOI: 10.1021/jm0100537
BindingDB Entry DOI: 10.7270/Q2ZW1J42
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM10298
PNG
(1-benzyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione |...)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)N(=O)=O
Show InChI InChI=1S/C15H10N2O4/c18-14-12-8-11(17(20)21)6-7-13(12)16(15(14)19)9-10-4-2-1-3-5-10/h1-8H,9H2
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5.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...


J Med Chem 44: 2015-26 (2001)


Article DOI: 10.1021/jm0100537
BindingDB Entry DOI: 10.7270/Q2ZW1J42
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM10297
PNG
(1-methyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione |...)
Show SMILES CN1C(=O)C(=O)c2cc(ccc12)N(=O)=O
Show InChI InChI=1S/C9H6N2O4/c1-10-7-3-2-5(11(14)15)4-6(7)8(12)9(10)13/h2-4H,1H3
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7.20E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...


J Med Chem 44: 2015-26 (2001)


Article DOI: 10.1021/jm0100537
BindingDB Entry DOI: 10.7270/Q2ZW1J42
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM10309
PNG
(5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-indole-2...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C12H12N2O4S/c15-11-9-7-8(3-4-10(9)13-12(11)16)19(17,18)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H,13,15,16)
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1.20E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...


J Med Chem 44: 2015-26 (2001)


Article DOI: 10.1021/jm0100537
BindingDB Entry DOI: 10.7270/Q2ZW1J42
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM10316
PNG
((R)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}i...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@@H]1CNc1ccccc1
Show InChI InChI=1S/C19H19N3O4S/c23-18-16-11-15(8-9-17(16)21-19(18)24)27(25,26)22-10-4-7-14(22)12-20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,20H,4,7,10,12H2,(H,21,23,24)/t14-/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...


J Med Chem 44: 2015-26 (2001)


Article DOI: 10.1021/jm0100537
BindingDB Entry DOI: 10.7270/Q2ZW1J42
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM47197
PNG
(6-(4-bromophenyl)-2-(methylsulfonyl)-4-phenylnicot...)
Show SMILES CS(=O)(=O)c1nc(cc(-c2ccccc2)c1C#N)-c1ccc(Br)cc1
Show InChI InChI=1S/C19H13BrN2O2S/c1-25(23,24)19-17(12-21)16(13-5-3-2-4-6-13)11-18(22-19)14-7-9-15(20)10-8-14/h2-11H,1H3
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n/an/a 1.67E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM42213
PNG
(2-(4-methylanilino)-3-(1-piperidinyl)naphthalene-1...)
Show SMILES Cc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C22H22N2O2/c1-15-9-11-16(12-10-15)23-19-20(24-13-5-2-6-14-24)22(26)18-8-4-3-7-17(18)21(19)25/h3-4,7-12,23H,2,5-6,13-14H2,1H3
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n/an/a 3.73E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM83894
PNG
((8S,8aR,11aS,11bS)-10-Cyclohexyl-8-(2,2-dimethyl-p...)
Show SMILES CC(C)(C)C(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1C=Cc1ccccc31)C(=O)N(C1CCCCC1)C2=O
Show InChI InChI=1S/C25H30N2O3/c1-25(2,3)22(28)21-19-18(20-17-12-8-7-9-15(17)13-14-26(20)21)23(29)27(24(19)30)16-10-5-4-6-11-16/h7-9,12-14,16,18-21H,4-6,10-11H2,1-3H3/t18-,19+,20+,21-/m0/s1
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n/an/a 1.53E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM40322
PNG
(2-(1-benzotriazolyl)-3-(4-morpholinyl)naphthalene-...)
Show SMILES O=C1C(N2CCOCC2)=C(C(=O)c2ccccc12)n1nnc2ccccc12
Show InChI InChI=1S/C20H16N4O3/c25-19-13-5-1-2-6-14(13)20(26)18(17(19)23-9-11-27-12-10-23)24-16-8-4-3-7-15(16)21-22-24/h1-8H,9-12H2
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n/an/a 5.37E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM83895
PNG
(5-Amino-1-(6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo...)
Show SMILES CCOC(=O)c1cnn(c1N)-c1c(Cc2ccccc2)c(C)nc2c(c(C)nn12)-c1ccccc1
Show InChI InChI=1S/C27H26N6O2/c1-4-35-27(34)22-16-29-32(24(22)28)26-21(15-19-11-7-5-8-12-19)17(2)30-25-23(18(3)31-33(25)26)20-13-9-6-10-14-20/h5-14,16H,4,15,28H2,1-3H3
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n/an/a 3.78E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM57181
PNG
((3Z)-2-(3-amylimidazol-3-ium-1-yl)-3-besylimino-4-...)
Show SMILES CCCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H23N3O4S/c1-2-3-9-14-26-15-16-27(17-26)22-21(25-32(30,31)18-10-5-4-6-11-18)23(28)19-12-7-8-13-20(19)24(22)29/h4-8,10-13,15-17H,2-3,9,14H2,1H3
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n/an/a 1.62E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM57185
PNG
(4-(2-Hydroxy-phenylamino)-[1,2]naphthoquinone | 4-...)
Show SMILES Oc1ccccc1NC1=CC(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C16H11NO3/c18-14-8-4-3-7-12(14)17-13-9-15(19)16(20)11-6-2-1-5-10(11)13/h1-9,17-18H
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n/an/a 3.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM83896
PNG
(2-Nitro-benzoic acid 3-(3-benzotriazol-1-yl-1,4-di...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)Oc1cccc(c1)\[NH+]=C1\[C-](C(=O)c2ccccc2C1=O)[n+]1n[n-]c2ccccc12
Show InChI InChI=1S/C29H17N5O6/c35-27-19-10-1-2-11-20(19)28(36)26(33-24-15-6-4-13-22(24)31-32-33)25(27)30-17-8-7-9-18(16-17)40-29(37)21-12-3-5-14-23(21)34(38)39/h1-16H,(H,30,31,32,36)
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n/an/a 3.97E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM83897
PNG
(2-Nitro-benzoic acid 4-(3-benzotriazol-1-yl-1,4-di...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)Oc1ccc(cc1)\[NH+]=C1\[C-](C(=O)c2ccccc2C1=O)[n+]1n[n-]c2ccccc12
Show InChI InChI=1S/C29H17N5O6/c35-27-19-7-1-2-8-20(19)28(36)26(33-24-12-6-4-10-22(24)31-32-33)25(27)30-17-13-15-18(16-14-17)40-29(37)21-9-3-5-11-23(21)34(38)39/h1-16H,(H,30,31,32,36)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM34692
PNG
(2-Methyl-3-(4-methyl-benzoyl)-naphtho[1,2-b]furan-...)
Show SMILES Cc1oc-2c(c1C(=O)c1ccc(C)cc1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C21H14O4/c1-11-7-9-13(10-8-11)18(22)16-12(2)25-21-15-6-4-3-5-14(15)19(23)20(24)17(16)21/h3-10H,1-2H3
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n/an/a 1.04E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM42504
PNG
(2-Methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthala...)
Show SMILES CC(NS(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H23N5O2S/c1-16-13-14-20(15-23(16)33(31,32)29-17(2)19-9-5-4-6-10-19)24-21-11-7-8-12-22(21)25-27-26-18(3)30(25)28-24/h4-15,17,29H,1-3H3
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n/an/a 7.33E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM70568
PNG
(MLS000550969 | N-(4-{3-[4-(4-Fluoro-phenyl)-pipera...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(CC2)c2ccc(F)cc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C28H25FN4O5S/c1-18(34)30-20-8-12-22(13-9-20)39(37,38)31-25-26(28(36)24-5-3-2-4-23(24)27(25)35)33-16-14-32(15-17-33)21-10-6-19(29)7-11-21/h2-13,31H,14-17H2,1H3,(H,30,34)
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n/an/a 1.01E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM41831
PNG
(Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...)
Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1cccc(C)c1
Show InChI InChI=1S/C17H14N2O2S/c1-11-6-5-7-13(10-11)19(12(2)20)18-17-16(21)14-8-3-4-9-15(14)22-17/h3-10H,1-2H3
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n/an/a 9.93E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM41832
PNG
(Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...)
Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C
Show InChI InChI=1S/C17H14N2O2S/c1-11-7-3-5-9-14(11)19(12(2)20)18-17-16(21)13-8-4-6-10-15(13)22-17/h3-10H,1-2H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
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