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PubChem AID 602461

Compile data set for download or QSAR
Found 3 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
Caspase-9


(Homo sapiens (human))
BDBM89226
PNG
(1-(3,4-dichlorobenzyl)-4,6-dimethyl-isatin | 1-[(3...)
Show SMILES Cc1cc2N(Cc3ccc(Cl)c(Cl)c3)C(=O)C(=O)c2c(C)c1
Show InChI InChI=1S/C17H13Cl2NO2/c1-9-5-10(2)15-14(6-9)20(17(22)16(15)21)8-11-3-4-12(18)13(19)7-11/h3-7H,8H2,1-2H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.01E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2CZ35RR
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
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Patents


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PCBioAssay
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...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2CZ35RR
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM89227
PNG
(6-chloranyl-1-[(3,4-dichlorophenyl)methyl]indole-2...)
Show SMILES Clc1ccc2C(=O)C(=O)N(Cc3ccc(Cl)c(Cl)c3)c2c1
Show InChI InChI=1S/C15H8Cl3NO2/c16-9-2-3-10-13(6-9)19(15(21)14(10)20)7-8-1-4-11(17)12(18)5-8/h1-6H,7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.34E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2CZ35RR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%