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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 = 'BDBM83998'   
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))
BDBM83998
PNG
(4-(4-bromophenyl)-2-[1-(2-cyanoethyl)-3-indolyl]-4...)
Show SMILES OC(=O)C(CC(=O)c1ccc(Br)cc1)c1cn(CCC#N)c2ccccc12
Show InChI InChI=1S/C21H17BrN2O3/c22-15-8-6-14(7-9-15)20(25)12-17(21(26)27)18-13-24(11-3-10-23)19-5-2-1-4-16(18)19/h1-2,4-9,13,17H,3,11-12H2,(H,26,27)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.29E+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))
BDBM83998
PNG
(4-(4-bromophenyl)-2-[1-(2-cyanoethyl)-3-indolyl]-4...)
Show SMILES OC(=O)C(CC(=O)c1ccc(Br)cc1)c1cn(CCC#N)c2ccccc12
Show InChI InChI=1S/C21H17BrN2O3/c22-15-8-6-14(7-9-15)20(25)12-17(21(26)27)18-13-24(11-3-10-23)19-5-2-1-4-16(18)19/h1-2,4-9,13,17H,3,11-12H2,(H,26,27)
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