BDBM50515158 CHEMBL4472433

SMILES: Oc1cc(Cl)cc(Cl)c1C(=O)N1CCC(CC1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=IJUJYKVTBUESOE-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50515158   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sepiapterin reductase (Homo sapiens (Human))	BDBM50515158 (CHEMBL4472433) Show SMILES Oc1cc(Cl)cc(Cl)c1C(=O)N1CCC(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H17Cl2NO4S/c19-12-10-15(20)17(16(22)11-12)18(23)21-8-6-14(7-9-21)26(24,25)13-4-2-1-3-5-13/h1-5,10-11,14,22H,6-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Gr�nenthal GmbH Curated by ChEMBL					Assay Description Inhibition of TNAS binding to human sepiapterin reductase by 19F-NMR spectra analysis				J Med Chem 62: 6391-6397 (2019) Article DOI: 10.1021/acs.jmedchem.9b00218
					More data for this Ligand-Target Pair