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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 = 'BDBM61293'   
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))
BDBM61293
PNG
(4-(carbamoylamino)benzoic acid [2-(2-methoxy-4-nit...)
Show SMILES COc1cc(ccc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H16N4O7/c1-27-14-8-12(21(25)26)6-7-13(14)20-15(22)9-28-16(23)10-2-4-11(5-3-10)19-17(18)24/h2-8H,9H2,1H3,(H,20,22)(H3,18,19,24)
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MMDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.04E+4n/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))
BDBM61293
PNG
(4-(carbamoylamino)benzoic acid [2-(2-methoxy-4-nit...)
Show SMILES COc1cc(ccc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H16N4O7/c1-27-14-8-12(21(25)26)6-7-13(14)20-15(22)9-28-16(23)10-2-4-11(5-3-10)19-17(18)24/h2-8H,9H2,1H3,(H,20,22)(H3,18,19,24)
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