Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 306.3 BDBM50047361Purchase

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

Found 4 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
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50047361 (CHEMBL3314615) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Oc1ccccc1O Show InChI InChI=1S/C16H18O4S/c1-16(2,3)12-8-10-13(11-9-12)21(18,19)20-15-7-5-4-6-14(15)17/h4-11,17H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 (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 3 (Homo sapiens (Human))	BDBM50047361 (CHEMBL3314615) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Oc1ccccc1O Show InChI InChI=1S/C16H18O4S/c1-16(2,3)12-8-10-13(11-9-12)21(18,19)20-15-7-5-4-6-14(15)17/h4-11,17H,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+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))	BDBM50047361 (CHEMBL3314615) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Oc1ccccc1O Show InChI InChI=1S/C16H18O4S/c1-16(2,3)12-8-10-13(11-9-12)21(18,19)20-15-7-5-4-6-14(15)17/h4-11,17H,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+5	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))	BDBM50047361 (CHEMBL3314615) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Oc1ccccc1O Show InChI InChI=1S/C16H18O4S/c1-16(2,3)12-8-10-13(11-9-12)21(18,19)20-15-7-5-4-6-14(15)17/h4-11,17H,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+5	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