BDBM50116778 CHEMBL3608800

SMILES: COc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1

InChI Key: InChIKey=KDHDBHGICNAFKA-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 = 50116778   

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
Fatty acid desaturase 1 (Homo sapiens (Human))	BDBM50116778 (CHEMBL3608800) Show SMILES COc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C14H12ClN3O/c1-19-11-5-6-13-12(8-11)14(18-17-13)16-10-4-2-3-9(15)7-10/h2-8H,1H3,(H2,16,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Lexicon Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of liver delta-5 desaturase (unknown origin)				Bioorg Med Chem Lett 25: 3836-9 (2015) BindingDB Entry DOI: 10.7270/Q2MP552Z
					More data for this Ligand-Target Pair