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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 = 'BDBM40135'   
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))
BDBM40135
PNG
((3E)-6-hexyl-3-(5-phenyl-3H-1,3,4-oxadiazol-2-ylid...)
Show SMILES CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3ccccc3)c(=O)oc2=CC1=O |c:13,28,t:6|
Show InChI InChI=1S/C23H22N2O4/c1-2-3-4-6-11-16-12-17-13-18(23(27)28-20(17)14-19(16)26)22-25-24-21(29-22)15-9-7-5-8-10-15/h5,7-10,12-14,25H,2-4,6,11H2,1H3/b22-18+
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PC cid
PC sid
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PCBioAssay
n/an/a 1.17E+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))
BDBM40135
PNG
((3E)-6-hexyl-3-(5-phenyl-3H-1,3,4-oxadiazol-2-ylid...)
Show SMILES CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3ccccc3)c(=O)oc2=CC1=O |c:13,28,t:6|
Show InChI InChI=1S/C23H22N2O4/c1-2-3-4-6-11-16-12-17-13-18(23(27)28-20(17)14-19(16)26)22-25-24-21(29-22)15-9-7-5-8-10-15/h5,7-10,12-14,25H,2-4,6,11H2,1H3/b22-18+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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