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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 = 'BDBM61666'   
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))
BDBM61666
PNG
((5Z)-5-[(4-keto-5,7-dimethyl-chromen-3-yl)methylen...)
Show SMILES Cc1cc(C)c2c(c1)occ(\C=C1/NC(=S)NC1=O)c2=O
Show InChI InChI=1S/C15H12N2O3S/c1-7-3-8(2)12-11(4-7)20-6-9(13(12)18)5-10-14(19)17-15(21)16-10/h3-6H,1-2H3,(H2,16,17,19,21)/b10-5-
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 7.82E+3n/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/Q29C6VXX
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM61666
PNG
((5Z)-5-[(4-keto-5,7-dimethyl-chromen-3-yl)methylen...)
Show SMILES Cc1cc(C)c2c(c1)occ(\C=C1/NC(=S)NC1=O)c2=O
Show InChI InChI=1S/C15H12N2O3S/c1-7-3-8(2)12-11(4-7)20-6-9(13(12)18)5-10-14(19)17-15(21)16-10/h3-6H,1-2H3,(H2,16,17,19,21)/b10-5-
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