BDBM50179972 1-(3-chloro-6,11-dihydro-5-thia-12-aza-dibenzo[a,e]cycloocten-12-yl)-ethanone::CHEMBL206535

SMILES: CC(=O)N1Cc2ccccc2CSc2cc(Cl)ccc12

InChI Key: InChIKey=MCWAECIYQPQJBO-UHFFFAOYSA-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 = 50179972   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50179972 (1-(3-chloro-6,11-dihydro-5-thia-12-aza-dibenzo[a,e...) Show SMILES CC(=O)N1Cc2ccccc2CSc2cc(Cl)ccc12 Show InChI InChI=1S/C16H14ClNOS/c1-11(19)18-9-12-4-2-3-5-13(12)10-20-16-8-14(17)6-7-15(16)18/h2-8H,9-10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50179972 (1-(3-chloro-6,11-dihydro-5-thia-12-aza-dibenzo[a,e...) Show SMILES CC(=O)N1Cc2ccccc2CSc2cc(Cl)ccc12 Show InChI InChI=1S/C16H14ClNOS/c1-11(19)18-9-12-4-2-3-5-13(12)10-20-16-8-14(17)6-7-15(16)18/h2-8H,9-10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/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