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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 = 'BDBM83968'   
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))
BDBM83968
PNG
(1-[3-(brosylamino)-1,4-diketo-2-naphthyl]nipecotic...)
Show SMILES CCOC(=O)C1CCCN(C1)C1=C(NS(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:12|
Show InChI InChI=1S/C24H23BrN2O6S/c1-2-33-24(30)15-6-5-13-27(14-15)21-20(22(28)18-7-3-4-8-19(18)23(21)29)26-34(31,32)17-11-9-16(25)10-12-17/h3-4,7-12,15,26H,2,5-6,13-14H2,1H3
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.95E+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/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM83968
PNG
(1-[3-(brosylamino)-1,4-diketo-2-naphthyl]nipecotic...)
Show SMILES CCOC(=O)C1CCCN(C1)C1=C(NS(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:12|
Show InChI InChI=1S/C24H23BrN2O6S/c1-2-33-24(30)15-6-5-13-27(14-15)21-20(22(28)18-7-3-4-8-19(18)23(21)29)26-34(31,32)17-11-9-16(25)10-12-17/h3-4,7-12,15,26H,2,5-6,13-14H2,1H3
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