Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 338.2 BDBM50179954

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))	BDBM50179954 (1-(3,4-dichloro-6,11-dihydro-5-thia-12-aza-dibenzo...) Show SMILES CC(=O)N1Cc2ccccc2CSc2c(Cl)c(Cl)ccc12 Show InChI InChI=1S/C16H13Cl2NOS/c1-10(20)19-8-11-4-2-3-5-12(11)9-21-16-14(19)7-6-13(17)15(16)18/h2-7H,8-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	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))	BDBM50179954 (1-(3,4-dichloro-6,11-dihydro-5-thia-12-aza-dibenzo...) Show SMILES CC(=O)N1Cc2ccccc2CSc2c(Cl)c(Cl)ccc12 Show InChI InChI=1S/C16H13Cl2NOS/c1-10(20)19-8-11-4-2-3-5-12(11)9-21-16-14(19)7-6-13(17)15(16)18/h2-7H,8-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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 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