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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 = 'BDBM83877'   
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))
BDBM83877
PNG
(2-(4-methoxyphenyl)-5-methyl-6-(phenylmethyl)-1H-[...)
Show SMILES COc1ccc(cc1)-c1nc2nc(C)c(Cc3ccccc3)c(=O)n2[nH]1
Show InChI InChI=1S/C20H18N4O2/c1-13-17(12-14-6-4-3-5-7-14)19(25)24-20(21-13)22-18(23-24)15-8-10-16(26-2)11-9-15/h3-11H,12H2,1-2H3,(H,21,22,23)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.06E+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))
BDBM83877
PNG
(2-(4-methoxyphenyl)-5-methyl-6-(phenylmethyl)-1H-[...)
Show SMILES COc1ccc(cc1)-c1nc2nc(C)c(Cc3ccccc3)c(=O)n2[nH]1
Show InChI InChI=1S/C20H18N4O2/c1-13-17(12-14-6-4-3-5-7-14)19(25)24-20(21-13)22-18(23-24)15-8-10-16(26-2)11-9-15/h3-11H,12H2,1-2H3,(H,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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