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There are 238 purchasable compounds for target: Apoptotic protease-activating factor 3

Wt: 300.3
BDBM18
Purchase
Wt: 282.2
BDBM10298
Wt: 324.3
BDBM10305
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Wt: 280.3
BDBM10309
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Wt: 208.2
BDBM22857
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Wt: 306.1
BDBM22796
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Wt: 403.8
BDBM30722
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Wt: 409.3
BDBM30725
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Wt: 367.4
BDBM30762
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Wt: 369.4
BDBM30768
Purchase
Wt: 202.2
BDBM33147
Purchase
Wt: 449.3
BDBM33075
Purchase
Wt: 416.8
BDBM33127
Purchase
Wt: 402.8
BDBM33142
Purchase
Wt: 410.4
BDBM33159
Purchase
Displayed 1 to 15 (of 238 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 18,10298,10305,10309,22857,22796,30722,30725,30762,30768,33147,33075,33127,33142,33159   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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PubMed
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)

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)

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)

More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM30725
PNG
(MLS000079925 | N-[3-cyano-1-(4-methoxyphenyl)-2-py...)
Show SMILES COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C23H15N5O3/c1-30-15-10-8-14(9-11-15)28-21(27-23(29)19-7-4-12-31-19)16(13-24)20-22(28)26-18-6-3-2-5-17(18)25-20/h2-12H,1H3,(H,27,29)
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n/an/a 4.75E+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...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM22796
PNG
(1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-indo...)
Show SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl
Show InChI InChI=1S/C15H9Cl2NO2/c16-11-6-5-9(7-12(11)17)8-18-13-4-2-1-3-10(13)14(19)15(18)20/h1-7H,8H2
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n/an/a 2.27E+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...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM30768
PNG
(2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...)
Show SMILES COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H27N5O2/c1-13(2)9-10-22-20(26)16-17-19(25(18(16)21)11-6-12-27-3)24-15-8-5-4-7-14(15)23-17/h4-5,7-8,13H,6,9-12,21H2,1-3H3,(H,22,26)
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n/an/a 9.29E+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...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM33075
PNG
(2,3-bis(2-furanyl)-N-[3-(trifluoromethyl)phenyl]-6...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)c1
Show InChI InChI=1S/C24H14F3N3O3/c25-24(26,27)15-4-1-5-16(13-15)28-23(31)14-8-9-17-18(12-14)30-22(20-7-3-11-33-20)21(29-17)19-6-2-10-32-19/h1-13H,(H,28,31)
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n/an/a 1.75E+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...


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More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM33127
PNG
(MLS000392290 | N-[3-(3-chloro-4-methyl-anilino)-1,...)
Show SMILES Cc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl
Show InChI InChI=1S/C24H17ClN2O3/c1-14-11-12-16(13-19(14)25)26-20-21(27-24(30)15-7-3-2-4-8-15)23(29)18-10-6-5-9-17(18)22(20)28/h2-13,26H,1H3,(H,27,30)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM33142
PNG
(MLS000375030 | N-[3-(4-chloroanilino)-1,4-diketo-2...)
Show SMILES Clc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C23H15ClN2O3/c24-15-10-12-16(13-11-15)25-19-20(26-23(29)14-6-2-1-3-7-14)22(28)18-9-5-4-8-17(18)21(19)27/h1-13,25H,(H,26,29)
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n/an/a 2.78E+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...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM33147
PNG
(5-methoxy-2-methyl-1,4-naphthoquinone | 5-methoxy-...)
Show SMILES COc1cccc2C(=O)C(C)=CC(=O)c12
Show InChI InChI=1S/C12H10O3/c1-7-6-9(13)11-8(12(7)14)4-3-5-10(11)15-2/h3-6H,1-2H3
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n/an/a 1.66E+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...


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More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM33159
PNG
(MLS000392833 | N-[3-[(1,1-diketothiolan-3-yl)amino...)
Show SMILES O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C21H18N2O5S/c24-19-15-8-4-5-9-16(15)20(25)18(23-21(26)13-6-2-1-3-7-13)17(19)22-14-10-11-29(27,28)12-14/h1-9,14,22H,10-12H2,(H,23,26)
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n/an/a 2.64E+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...


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More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a 1.20E+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...


Citation and Details
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM22857
PNG
(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)
Show SMILES O=C1C(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
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n/an/a 903n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


Citation and Details
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM18
PNG
((3-amino-5-methyl-6-phenyl-phenanthridin-5-ium-8-y...)
Show SMILES Cn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
Show InChI InChI=1S/C20H17N3/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13/h2-12,22H,21H2,1H3/p+1
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n/an/a 7.89E+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...


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More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM30762
PNG
(2-amino-N-butan-2-yl-1-(2-oxolanylmethyl)-3-pyrrol...)
Show SMILES CCC(C)NC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H25N5O2/c1-3-12(2)22-20(26)16-17-19(24-15-9-5-4-8-14(15)23-17)25(18(16)21)11-13-7-6-10-27-13/h4-5,8-9,12-13H,3,6-7,10-11,21H2,1-2H3,(H,22,26)
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n/an/a 6.98E+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...


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More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 18,10298,10305,10309,22857,22796,30722,30725,30762,30768,33147,33075,33127,33142,33159
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
H1/H5-depleted chromatin

(Homo sapiens (human)-Homo sapiens (Human))
BDBM18
JPEG
((3-amino-5-methyl-6-phenyl-phenanthridin-5-ium-8-y...)
GoogleScholar
PDB
PC cid
PC sid
-6.621.47-8.134.937.520



Universite de Liege





Biochemistry 37: 9119-26 (1998)

DNA(calf thymus)

(Bos taurus (bovine))
BDBM18
JPEG
((3-amino-5-methyl-6-phenyl-phenanthridin-5-ium-8-y...)
GoogleScholar
PC cid
PC sid
-7.020.441-7.425.207.520



Universite de Liege





Biochemistry 37: 9119-26 (1998)