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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 = 'BDBM83911'   
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))
BDBM83911
PNG
(MLS000590613 | N-(9,10-Dioxo-9,10-dihydro-anthrace...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C23H17NO5/c1-28-19-10-7-13(11-20(19)29-2)23(27)24-14-8-9-17-18(12-14)22(26)16-6-4-3-5-15(16)21(17)25/h3-12H,1-2H3,(H,24,27)
PDB
MMDB

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PC cid
PC sid
UniChem

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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/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM83911
PNG
(MLS000590613 | N-(9,10-Dioxo-9,10-dihydro-anthrace...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C23H17NO5/c1-28-19-10-7-13(11-20(19)29-2)23(27)24-14-8-9-17-18(12-14)22(26)16-6-4-3-5-15(16)21(17)25/h3-12H,1-2H3,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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