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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptotic protease-activating factor 1' and Ligand = 'BDBM84006'   
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
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM84006
PNG
(6-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-methyl-3...)
Show SMILES CC(CS(=O)(=O)c1ccc2SCC(=O)Nc2c1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H24ClN3O4S2/c1-15(14-32(29,30)18-5-6-20-19(12-18)24-21(27)13-31-20)22(28)26-9-7-25(8-10-26)17-4-2-3-16(23)11-17/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,24,27)
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MMDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 7.43E+3n/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/Q29C6VXX
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM84006
PNG
(6-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-methyl-3...)
Show SMILES CC(CS(=O)(=O)c1ccc2SCC(=O)Nc2c1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H24ClN3O4S2/c1-15(14-32(29,30)18-5-6-20-19(12-18)24-21(27)13-31-20)22(28)26-9-7-25(8-10-26)17-4-2-3-16(23)11-17/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (2011)


BindingDB Entry DOI: 10.7270/Q2SB447H
More data for this
Ligand-Target Pair