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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 = 'BDBM78821'   
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))
BDBM78821
PNG
(MLS000770435 | N-[2-(diethylamino)ethyl]-4-[[(E)-3...)
Show SMILES CCOc1cc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NCCN(CC)CC)ccc1OCC(C)C
Show InChI InChI=1S/C28H39N3O4/c1-6-31(7-2)18-17-29-28(33)23-11-13-24(14-12-23)30-27(32)16-10-22-9-15-25(35-20-21(4)5)26(19-22)34-8-3/h9-16,19,21H,6-8,17-18,20H2,1-5H3,(H,29,33)(H,30,32)/b16-10+
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.85E+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))
BDBM78821
PNG
(MLS000770435 | N-[2-(diethylamino)ethyl]-4-[[(E)-3...)
Show SMILES CCOc1cc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NCCN(CC)CC)ccc1OCC(C)C
Show InChI InChI=1S/C28H39N3O4/c1-6-31(7-2)18-17-29-28(33)23-11-13-24(14-12-23)30-27(32)16-10-22-9-15-25(35-20-21(4)5)26(19-22)34-8-3/h9-16,19,21H,6-8,17-18,20H2,1-5H3,(H,29,33)(H,30,32)/b16-10+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

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