BDBM50515148 CHEMBL4580905

SMILES: CC1(F)CCN(C1)C(=O)c1c(O)cc(Cl)cc1Cl

InChI Key: InChIKey=CXFOWIDZSPEVCT-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 = 50515148   

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))	BDBM50515148 (CHEMBL4580905) Show SMILES CC1(F)CCN(C1)C(=O)c1c(O)cc(Cl)cc1Cl Show InChI InChI=1S/C12H12Cl2FNO2/c1-12(15)2-3-16(6-12)11(18)10-8(14)4-7(13)5-9(10)17/h4-5,17H,2-3,6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.27E+3	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