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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 = 'BDBM83880'   
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))
BDBM83880
PNG
(6-[(2-chloranylphenoxy)methyl]-3-pyridin-4-yl-[1,2...)
Show SMILES Clc1ccccc1OCc1nn2c(nnc2s1)-c1ccncc1
Show InChI InChI=1S/C15H10ClN5OS/c16-11-3-1-2-4-12(11)22-9-13-20-21-14(18-19-15(21)23-13)10-5-7-17-8-6-10/h1-8H,9H2
PDB
MMDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 8.40E+3n/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))
BDBM83880
PNG
(6-[(2-chloranylphenoxy)methyl]-3-pyridin-4-yl-[1,2...)
Show SMILES Clc1ccccc1OCc1nn2c(nnc2s1)-c1ccncc1
Show InChI InChI=1S/C15H10ClN5OS/c16-11-3-1-2-4-12(11)22-9-13-20-21-14(18-19-15(21)23-13)10-5-7-17-8-6-10/h1-8H,9H2
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