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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 = 'BDBM83876'   
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))
BDBM83876
PNG
(MLS000040810 | N-[(2-oxidanylidene-1H-quinolin-3-y...)
Show SMILES CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C20H26N2O2/c1-14(2)22(20(24)15-8-4-3-5-9-15)13-17-12-16-10-6-7-11-18(16)21-19(17)23/h6-7,10-12,14-15H,3-5,8-9,13H2,1-2H3,(H,21,23)
PDB
MMDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.36E+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))
BDBM83876
PNG
(MLS000040810 | N-[(2-oxidanylidene-1H-quinolin-3-y...)
Show SMILES CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C20H26N2O2/c1-14(2)22(20(24)15-8-4-3-5-9-15)13-17-12-16-10-6-7-11-18(16)21-19(17)23/h6-7,10-12,14-15H,3-5,8-9,13H2,1-2H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/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/Q2F18X8S
More data for this
Ligand-Target Pair