BDBM50060665 CHEMBL3394697

SMILES: Fc1ccc(Cn2ncn(-c3cc([nH]n3)C(=O)NCc3cccnc3)c2=O)cc1

InChI Key: InChIKey=FAIXKYSRYKWWGK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50060665   

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
Stearoyl-CoA desaturase 1 (Homo sapiens (Human))	BDBM50060665 (CHEMBL3394697) Show SMILES Fc1ccc(Cn2ncn(-c3cc([nH]n3)C(=O)NCc3cccnc3)c2=O)cc1 Show InChI InChI=1S/C19H16FN7O2/c20-15-5-3-13(4-6-15)11-27-19(29)26(12-23-27)17-8-16(24-25-17)18(28)22-10-14-2-1-7-21-9-14/h1-9,12H,10-11H2,(H,22,28)(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060665 (CHEMBL3394697) Show SMILES Fc1ccc(Cn2ncn(-c3cc([nH]n3)C(=O)NCc3cccnc3)c2=O)cc1 Show InChI InChI=1S/C19H16FN7O2/c20-15-5-3-13(4-6-15)11-27-19(29)26(12-23-27)17-8-16(24-25-17)18(28)22-10-14-2-1-7-21-9-14/h1-9,12H,10-11H2,(H,22,28)(H,24,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair