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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '17-beta-hydroxysteroid dehydrogenase type 3' and Ligand = 'BDBM50179939'   
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
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179939
PNG
(3-(5-acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[...)
Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H19ClN2O/c1-16(28)27-15-22-12-20(19-4-2-3-17(11-19)14-26)7-5-18(22)6-8-21-13-23(25)9-10-24(21)27/h2-5,7,9-13H,6,8,15H2,1H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179939
PNG
(3-(5-acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[...)
Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H19ClN2O/c1-16(28)27-15-22-12-20(19-4-2-3-17(11-19)14-26)7-5-18(22)6-8-21-13-23(25)9-10-24(21)27/h2-5,7,9-13H,6,8,15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 by SEAP assay


Bioorg Med Chem Lett 16: 1532-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.039
BindingDB Entry DOI: 10.7270/Q2CV4HBV
More data for this
Ligand-Target Pair