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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 = 'BDBM83956'   
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))
BDBM83956
PNG
(MLS000936650 | SMR000621112 | cid_24789635)
Show SMILES OC(=O)CCNc1cc(N2CCN(CC2)C(=O)c2ccco2)c2noc3-c4ccccc4C(=O)c1c23
Show InChI InChI=1S/C26H22N4O6/c31-20(32)7-8-27-17-14-18(29-9-11-30(12-10-29)26(34)19-6-3-13-35-19)23-22-21(17)24(33)15-4-1-2-5-16(15)25(22)36-28-23/h1-6,13-14,27H,7-12H2,(H,31,32)
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.32E+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/Q2F18X8S
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM83956
PNG
(MLS000936650 | SMR000621112 | cid_24789635)
Show SMILES OC(=O)CCNc1cc(N2CCN(CC2)C(=O)c2ccco2)c2noc3-c4ccccc4C(=O)c1c23
Show InChI InChI=1S/C26H22N4O6/c31-20(32)7-8-27-17-14-18(29-9-11-30(12-10-29)26(34)19-6-3-13-35-19)23-22-21(17)24(33)15-4-1-2-5-16(15)25(22)36-28-23/h1-6,13-14,27H,7-12H2,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.14E+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