Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 299.3 BDBM50179955

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50179955 (1-(3-methoxy-6,11-dihydro-5-thia-12-aza-dibenzo[a,...) Show SMILES COc1ccc2N(Cc3ccccc3CSc2c1)C(C)=O Show InChI InChI=1S/C17H17NO2S/c1-12(19)18-10-13-5-3-4-6-14(13)11-21-17-9-15(20-2)7-8-16(17)18/h3-9H,10-11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+3	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
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50179955 (1-(3-methoxy-6,11-dihydro-5-thia-12-aza-dibenzo[a,...) Show SMILES COc1ccc2N(Cc3ccccc3CSc2c1)C(C)=O Show InChI InChI=1S/C17H17NO2S/c1-12(19)18-10-13-5-3-4-6-14(13)11-21-17-9-15(20-2)7-8-16(17)18/h3-9H,10-11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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