Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 393.2 BDBM50047360Purchase

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

Found 3 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))	BDBM50047360 (CHEMBL3314614) Show SMILES Cc1cc(C)c(OCC(=O)N\N=C\c2ccc(O)cc2O)c(Br)c1 Show InChI InChI=1S/C17H17BrN2O4/c1-10-5-11(2)17(14(18)6-10)24-9-16(23)20-19-8-12-3-4-13(21)7-15(12)22/h3-8,21-22H,9H2,1-2H3,(H,20,23)/b19-8+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 (unknown origin) expressed in intact HEK293 cells				J Med Chem 57: 5995-6007 (2014) Article DOI: 10.1021/jm5004914 BindingDB Entry DOI: 10.7270/Q2MK6FJW
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50047360 (CHEMBL3314614) Show SMILES Cc1cc(C)c(OCC(=O)N\N=C\c2ccc(O)cc2O)c(Br)c1 Show InChI InChI=1S/C17H17BrN2O4/c1-10-5-11(2)17(14(18)6-10)24-9-16(23)20-19-8-12-3-4-13(21)7-15(12)22/h3-8,21-22H,9H2,1-2H3,(H,20,23)/b19-8+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD2 (unknown origin) expressed in HEK293 cells lysate				J Med Chem 57: 5995-6007 (2014) Article DOI: 10.1021/jm5004914 BindingDB Entry DOI: 10.7270/Q2MK6FJW
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50047360 (CHEMBL3314614) Show SMILES Cc1cc(C)c(OCC(=O)N\N=C\c2ccc(O)cc2O)c(Br)c1 Show InChI InChI=1S/C17H17BrN2O4/c1-10-5-11(2)17(14(18)6-10)24-9-16(23)20-19-8-12-3-4-13(21)7-15(12)22/h3-8,21-22H,9H2,1-2H3,(H,20,23)/b19-8+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD2 (unknown origin) expressed in intact HEK293 cells				J Med Chem 57: 5995-6007 (2014) Article DOI: 10.1021/jm5004914 BindingDB Entry DOI: 10.7270/Q2MK6FJW
					More data for this Ligand-Target Pair