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BDBM50179945 1-(6,11-dihydro-5-thia-12-aza-dibenzo[a,e]cycloocten-12-yl)-ethanone::CHEMBL204507

SMILES: CC(=O)N1Cc2ccccc2CSc2ccccc12

InChI Key: InChIKey=SQHWWAQSQAEZOK-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50179945   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50179945
PNG
(1-(6,11-dihydro-5-thia-12-aza-dibenzo[a,e]cyclooct...)
Show SMILES CC(=O)N1Cc2ccccc2CSc2ccccc12
Show InChI InChI=1S/C16H15NOS/c1-12(18)17-10-13-6-2-3-7-14(13)11-19-16-9-5-4-8-15(16)17/h2-9H,10-11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 320n/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
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50179945
PNG
(1-(6,11-dihydro-5-thia-12-aza-dibenzo[a,e]cyclooct...)
Show SMILES CC(=O)N1Cc2ccccc2CSc2ccccc12
Show InChI InChI=1S/C16H15NOS/c1-12(18)17-10-13-6-2-3-7-14(13)11-19-16-9-5-4-8-15(16)17/h2-9H,10-11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/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