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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 = 'BDBM34635'   
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))
BDBM34635
PNG
(MLS000107482 | N-[4-(butylamino)-6,7-dimethoxy-2-n...)
Show SMILES CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C18H24N2O3/c1-5-6-7-19-16-10-14(20-12(2)21)8-13-9-17(22-3)18(23-4)11-15(13)16/h8-11,19H,5-7H2,1-4H3,(H,20,21)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.62E+3n/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))
BDBM34635
PNG
(MLS000107482 | N-[4-(butylamino)-6,7-dimethoxy-2-n...)
Show SMILES CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C18H24N2O3/c1-5-6-7-19-16-10-14(20-12(2)21)8-13-9-17(22-3)18(23-4)11-15(13)16/h8-11,19H,5-7H2,1-4H3,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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/Q2F18X8S
More data for this
Ligand-Target Pair