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Compile Data Set for Download or QSAR

Found 535 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))
BDBM50339185
PNG
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O
Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
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PubMed
n/an/a 1.00E+4n/an/an/an/a7.4n/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM50022271
PNG
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
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n/an/a 1.00E+4n/an/an/an/a7.4n/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM85511
PNG
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Show SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
Show InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
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n/an/a 850n/an/an/an/a7.4n/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM50233673
PNG
((+)-2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic ac...)
Show SMILES CC(C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O
Show InChI InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)
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n/an/a 300n/an/an/an/a7.4n/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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PubMed
n/an/a 4.90E+3n/an/an/an/a7.4n/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM50240374
PNG
(3-(4-biphenylylcarbonyl)propionic acid | 3-(4-phen...)
Show SMILES OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
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n/an/a 760n/an/an/an/a7.4n/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM223312
PNG
(Felbinac)
Show SMILES OC(=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
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n/an/a 1.80E+3n/an/an/an/a7.4n/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM223313
PNG
(Tiaprofenic acid)
Show SMILES CC(C(O)=O)c1ccc(s1)C(=O)c1ccccc1
Show InChI InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
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n/an/a 2.20E+3n/an/an/an/a7.4n/a



University of Colorado



Assay Description
Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...


Cell Chem Biol 24: 281-292 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.003
BindingDB Entry DOI: 10.7270/Q2C53JQX
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
Caspase-9


(Homo sapiens (human))
BDBM83898
PNG
((3Z)-2-(3-isoamylimidazol-3-ium-1-yl)-4-keto-3-tos...)
Show SMILES CC(C)CC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(C)cc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C25H25N3O4S/c1-17(2)12-13-27-14-15-28(16-27)23-22(24(29)20-6-4-5-7-21(20)25(23)30)26-33(31,32)19-10-8-18(3)9-11-19/h4-11,14-17H,12-13H2,1-3H3
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n/an/a 1.26E+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))
BDBM54198
PNG
(2-Butyl-1-hydroxy-3-methyl-benzo[4,5]imidazo[1,2-a...)
Show SMILES CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O
Show InChI InChI=1S/C17H17N3O/c1-3-4-7-12-11(2)13(10-18)16-19-14-8-5-6-9-15(14)20(16)17(12)21/h5-6,8-9,19H,3-4,7H2,1-2H3
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n/an/a 1.15E+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))
BDBM83899
PNG
(1-Hydroxy-3-methyl-2-(3-methyl-butyl)-benzo[4,5]im...)
Show SMILES CC(C)CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O
Show InChI InChI=1S/C18H19N3O/c1-11(2)8-9-13-12(3)14(10-19)17-20-15-6-4-5-7-16(15)21(17)18(13)22/h4-7,11,20H,8-9H2,1-3H3
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n/an/a 5.35E+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))
BDBM83900
PNG
((3Z)-2-[3-(3-methylbutyl)imidazol-3-ium-1-yl]-4-ox...)
Show SMILES CC(C)CC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H23N3O4S/c1-17(2)12-13-26-14-15-27(16-26)22-21(25-32(30,31)18-8-4-3-5-9-18)23(28)19-10-6-7-11-20(19)24(22)29/h3-11,14-17H,12-13H2,1-2H3
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n/an/a 1.23E+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))
BDBM61666
PNG
((5Z)-5-[(4-keto-5,7-dimethyl-chromen-3-yl)methylen...)
Show SMILES Cc1cc(C)c2c(c1)occ(\C=C1/NC(=S)NC1=O)c2=O
Show InChI InChI=1S/C15H12N2O3S/c1-7-3-8(2)12-11(4-7)20-6-9(13(12)18)5-10-14(19)17-15(21)16-10/h3-6H,1-2H3,(H2,16,17,19,21)/b10-5-
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n/an/a 8.00E+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))
BDBM83901
PNG
((4E)-2-benzyl-4-[(1,4-dimethylpentylamino)methylen...)
Show SMILES CC(C)CCC(C)NC=C1C(=O)N(Cc2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C24H28N2O2/c1-17(2)13-14-18(3)25-15-22-20-11-7-8-12-21(20)23(27)26(24(22)28)16-19-9-5-4-6-10-19/h4-12,15,17-18,25H,13-14,16H2,1-3H3
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n/an/a 4.43E+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))
BDBM70604
PNG
(2-(4-ethylphenoxy)-N-[(3-ketoindan-1-ylidene)amino...)
Show SMILES CCc1ccc(OCC(=O)NN=C2CC(=O)c3ccccc23)cc1
Show InChI InChI=1S/C19H18N2O3/c1-2-13-7-9-14(10-8-13)24-12-19(23)21-20-17-11-18(22)16-6-4-3-5-15(16)17/h3-10H,2,11-12H2,1H3,(H,21,23)
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n/an/a 6.76E+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))
BDBM41036
PNG
((NE)-N-[3-(5-chloro-2-methyl-anilino)-4-keto-1-nap...)
Show SMILES Cc1ccc(Cl)cc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O
Show InChI InChI=1S/C21H15ClN2O3S2/c1-13-8-9-14(22)11-17(13)23-19-12-18(15-5-2-3-6-16(15)21(19)25)24-29(26,27)20-7-4-10-28-20/h2-12,23H,1H3
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n/an/a 3.67E+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))
BDBM41038
PNG
((NE)-N-[3-(2-methylanilino)-4-oxo-1-naphthalenylid...)
Show SMILES Cc1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O
Show InChI InChI=1S/C21H16N2O3S2/c1-14-7-2-5-10-17(14)22-19-13-18(15-8-3-4-9-16(15)21(19)24)23-28(25,26)20-11-6-12-27-20/h2-13,22H,1H3
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n/an/a 548n/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))
BDBM70611
PNG
(4-[1-(4-bromophenyl)-2-nitro-ethyl]-5-methyl-2-phe...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(Br)cc1
Show InChI InChI=1S/C18H16BrN3O3/c1-12-17(18(23)22(20-12)15-5-3-2-4-6-15)16(11-21(24)25)13-7-9-14(19)10-8-13/h2-10,16,20H,11H2,1H3
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n/an/a 6.79E+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))
BDBM81027
PNG
(2-[6-bromanyl-3-ethoxycarbonyl-2-methyl-1-(4-methy...)
Show SMILES CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c(C(C(C)=O)C(O)=O)c(Br)c(O)c(O)c12
Show InChI InChI=1S/C23H22BrNO7/c1-5-32-23(31)14-11(3)25(13-8-6-10(2)7-9-13)19-16(15(12(4)26)22(29)30)18(24)21(28)20(27)17(14)19/h6-9,15,27-28H,5H2,1-4H3,(H,29,30)
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n/an/a 7.52E+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))
BDBM70620
PNG
((4E)-4-(ethoxymethylene)-7-methoxy-2-methyl-isoqui...)
Show SMILES CCO\C=C1\C(=O)N(C)C(=O)c2cc(OC)ccc12
Show InChI InChI=1S/C14H15NO4/c1-4-19-8-12-10-6-5-9(18-3)7-11(10)13(16)15(2)14(12)17/h5-8H,4H2,1-3H3/b12-8+
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n/an/a 7.11E+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))
BDBM83902
PNG
(2-(4-methylphenyl)-5-[[5-(naphthalen-1-yloxymethyl...)
Show SMILES Cc1ccc(cc1)-c1nnc(CSc2nnc(COc3cccc4ccccc34)n2-c2ccccc2)o1
Show InChI InChI=1S/C29H23N5O2S/c1-20-14-16-22(17-15-20)28-32-31-27(36-28)19-37-29-33-30-26(34(29)23-10-3-2-4-11-23)18-35-25-13-7-9-21-8-5-6-12-24(21)25/h2-17H,18-19H2,1H3
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n/an/a 1.03E+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))
BDBM70627
PNG
(5-amino-4-keto-N-(p-anisylideneamino)-3-phenyl-thi...)
Show SMILES COc1ccc(C=NNC(=O)c2nn(-c3ccccc3)c(=O)c3c(N)scc23)cc1
Show InChI InChI=1S/C21H17N5O3S/c1-29-15-9-7-13(8-10-15)11-23-24-20(27)18-16-12-30-19(22)17(16)21(28)26(25-18)14-5-3-2-4-6-14/h2-12H,22H2,1H3,(H,24,27)
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n/an/a 4.85E+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))
BDBM70644
PNG
(2-methyl-3-(2-oxo-2-phenylethyl)naphthoquinone | 2...)
Show SMILES CC1=C(CC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H14O3/c1-12-16(11-17(20)13-7-3-2-4-8-13)19(22)15-10-6-5-9-14(15)18(12)21/h2-10H,11H2,1H3
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n/an/a 2.43E+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))
BDBM53601
PNG
(MLS000551084 | N-[[5-(2-nitrophenyl)-2-furanyl]met...)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc([CH+][N-]NC(=O)c2cccnc2)o1
Show InChI InChI=1S/C17H12N4O4/c22-17(12-4-3-9-18-10-12)20-19-11-13-7-8-16(25-13)14-5-1-2-6-15(14)21(23)24/h1-11H,(H,20,22)
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n/an/a 2.34E+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))
BDBM64780
PNG
(4-Methyl-benzoic acid N'-(2,6-di-pyrrolidin-1-...)
Show SMILES Cc1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C20H26N6O/c1-15-6-8-16(9-7-15)19(27)24-23-17-14-18(25-10-2-3-11-25)22-20(21-17)26-12-4-5-13-26/h6-9,14H,2-5,10-13H2,1H3,(H,24,27)(H,21,22,23)
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n/an/a 2.74E+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))
BDBM40726
PNG
((6-bromopiazthiol-5-yl)amine | 5-bromanyl-2,1,3-be...)
Show SMILES Nc1cc2nsnc2cc1Br
Show InChI InChI=1S/C6H4BrN3S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,8H2
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n/an/a 1.94E+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))
BDBM83904
PNG
(4-tert-Butyl-benzoic acid N'-(2,6-di-piperidin...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1
Show InChI InChI=1S/C25H36N6O/c1-25(2,3)20-12-10-19(11-13-20)23(32)29-28-21-18-22(30-14-6-4-7-15-30)27-24(26-21)31-16-8-5-9-17-31/h10-13,18H,4-9,14-17H2,1-3H3,(H,29,32)(H,26,27,28)
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n/an/a 9.01E+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))
BDBM41067
PNG
(2-(6-Ethoxy-4-methyl-quinazolin-2-ylamino)-6-(4-me...)
Show SMILES CCOc1ccc2nc(NC3=NC(CC(=O)N3)c3ccc(OC)cc3)nc(C)c2c1
Show InChI InChI=1S/C22H23N5O3/c1-4-30-16-9-10-18-17(11-16)13(2)23-21(24-18)27-22-25-19(12-20(28)26-22)14-5-7-15(29-3)8-6-14/h5-11,19H,4,12H2,1-3H3,(H2,23,24,25,26,27,28)
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n/an/a 2.29E+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
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