Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 283.3 BDBM50179947

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))	BDBM50179947 (1-(3-methyl-6,11-dihydro-5-thia-12-aza-dibenzo[a,e...) Show SMILES CC(=O)N1Cc2ccccc2CSc2cc(C)ccc12 Show InChI InChI=1S/C17H17NOS/c1-12-7-8-16-17(9-12)20-11-15-6-4-3-5-14(15)10-18(16)13(2)19/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	870	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))	BDBM50179947 (1-(3-methyl-6,11-dihydro-5-thia-12-aza-dibenzo[a,e...) Show SMILES CC(=O)N1Cc2ccccc2CSc2cc(C)ccc12 Show InChI InChI=1S/C17H17NOS/c1-12-7-8-16-17(9-12)20-11-15-6-4-3-5-14(15)10-18(16)13(2)19/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+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