Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 301.7 BDBM50047362Purchase

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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50047362 (CHEMBL3314616) Show SMILES Oc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1Cl Show InChI InChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)16)15-19(17,18)10-4-1-8(14)2-5-10/h1-7,15-16H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+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 3 (Homo sapiens (Human))	BDBM50047362 (CHEMBL3314616) Show SMILES Oc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1Cl Show InChI InChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)16)15-19(17,18)10-4-1-8(14)2-5-10/h1-7,15-16H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+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))	BDBM50047362 (CHEMBL3314616) Show SMILES Oc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1Cl Show InChI InChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)16)15-19(17,18)10-4-1-8(14)2-5-10/h1-7,15-16H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
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
Tumor necrosis factor (Homo sapiens (Human))	BDBM50047362 (CHEMBL3314616) Show SMILES Oc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1Cl Show InChI InChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)16)15-19(17,18)10-4-1-8(14)2-5-10/h1-7,15-16H	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of TNFalpha in HEK293T cells transfected with plasmid hRluc/TK/ luc2P/NF-kBRE/Hygro plasmid after 12 hrs by Dual-glo luciferase assay syst...				Eur J Med Chem 85: 119-26 (2014) Article DOI: 10.1016/j.ejmech.2014.07.091 BindingDB Entry DOI: 10.7270/Q2K9398F
					More data for this Ligand-Target Pair