null

SMILES: OCC(=O)Nc1cnc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1

InChI Key: InChIKey=SYRGPVPKQWDULB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50259220   

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
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50259220 (CHEMBL467091 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...) Show SMILES OCC(=O)Nc1cnc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 Show InChI InChI=1S/C16H12Cl2N4O3/c17-12-2-1-9(3-13(12)18)6-22-8-20-15-11(16(22)25)4-10(5-19-15)21-14(24)7-23/h1-5,8,23H,6-7H2,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	208	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc Curated by ChEMBL					Assay Description Inhibition of rat microsomal delta(9)-desaturase				Bioorg Med Chem Lett 19: 3050-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.004 BindingDB Entry DOI: 10.7270/Q2W095TX
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50259220 (CHEMBL467091 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...) Show SMILES OCC(=O)Nc1cnc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 Show InChI InChI=1S/C16H12Cl2N4O3/c17-12-2-1-9(3-13(12)18)6-22-8-20-15-11(16(22)25)4-10(5-19-15)21-14(24)7-23/h1-5,8,23H,6-7H2,(H,21,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc Curated by ChEMBL					Assay Description Inhibition of delta(9)-desaturase from human HepG2 cells				Bioorg Med Chem Lett 19: 3050-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.004 BindingDB Entry DOI: 10.7270/Q2W095TX
					More data for this Ligand-Target Pair