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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 = 'BDBM30719'   
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))
BDBM30719
PNG
((3E)-6-hexyl-3-[(5E)-5-(6-ketocyclohexa-2,4-dien-1...)
Show SMILES CCCCCCC1=Cc2c\c(=C3\NN\C(O3)=C3\C=CC=CC3=O)c(=O)oc2=CC1=O |c:18,20,29,t:6|
Show InChI InChI=1S/C23H22N2O5/c1-2-3-4-5-8-14-11-15-12-17(23(28)29-20(15)13-19(14)27)22-25-24-21(30-22)16-9-6-7-10-18(16)26/h6-7,9-13,24-25H,2-5,8H2,1H3/b21-16+,22-17+
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MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.90E+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))
BDBM30719
PNG
((3E)-6-hexyl-3-[(5E)-5-(6-ketocyclohexa-2,4-dien-1...)
Show SMILES CCCCCCC1=Cc2c\c(=C3\NN\C(O3)=C3\C=CC=CC3=O)c(=O)oc2=CC1=O |c:18,20,29,t:6|
Show InChI InChI=1S/C23H22N2O5/c1-2-3-4-5-8-14-11-15-12-17(23(28)29-20(15)13-19(14)27)22-25-24-21(30-22)16-9-6-7-10-18(16)26/h6-7,9-13,24-25H,2-5,8H2,1H3/b21-16+,22-17+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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