BDBM50515150 CHEMBL4437646

SMILES: Oc1cc(Cl)cc(Cl)c1C(=O)N1CCC(C1)c1cccnc1

InChI Key: InChIKey=IGWXQALKNAOIKO-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 = 50515150   

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))	BDBM50515150 (CHEMBL4437646) Show SMILES Oc1cc(Cl)cc(Cl)c1C(=O)N1CCC(C1)c1cccnc1 Show InChI InChI=1S/C16H14Cl2N2O2/c17-12-6-13(18)15(14(21)7-12)16(22)20-5-3-11(9-20)10-2-1-4-19-8-10/h1-2,4,6-8,11,21H,3,5,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	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