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BDBM50179971 1-(2-chloro-6H-dibenzo[b,f]azocin-5-yl)-ethanone::CHEMBL555150

SMILES: CC(=O)N1Cc2ccccc2\C=C/c2cc(Cl)ccc12

InChI Key: InChIKey=BYABXPOAEUFHNY-SREVYHEPSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50179971   
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))
BDBM50179971
PNG
(1-(2-chloro-6H-dibenzo[b,f]azocin-5-yl)-ethanone |...)
Show SMILES CC(=O)N1Cc2ccccc2\C=C/c2cc(Cl)ccc12
Show InChI InChI=1S/C17H14ClNO/c1-12(20)19-11-15-5-3-2-4-13(15)6-7-14-10-16(18)8-9-17(14)19/h2-10H,11H2,1H3/b7-6-
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/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))
BDBM50179971
PNG
(1-(2-chloro-6H-dibenzo[b,f]azocin-5-yl)-ethanone |...)
Show SMILES CC(=O)N1Cc2ccccc2\C=C/c2cc(Cl)ccc12
Show InChI InChI=1S/C17H14ClNO/c1-12(20)19-11-15-5-3-2-4-13(15)6-7-14-10-16(18)8-9-17(14)19/h2-10H,11H2,1H3/b7-6-
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/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