BDBM50060667 CHEMBL3394695

SMILES: Cc1nc(sc1C(=O)NCc1ccccn1)-n1cnn(Cc2ccc(cc2)C(F)(F)F)c1=O

InChI Key: InChIKey=MBZKEYVPSVQGTM-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 = 50060667   

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))	BDBM50060667 (CHEMBL3394695) Show SMILES Cc1nc(sc1C(=O)NCc1ccccn1)-n1cnn(Cc2ccc(cc2)C(F)(F)F)c1=O Show InChI InChI=1S/C21H17F3N6O2S/c1-13-17(18(31)26-10-16-4-2-3-9-25-16)33-19(28-13)29-12-27-30(20(29)32)11-14-5-7-15(8-6-14)21(22,23)24/h2-9,12H,10-11H2,1H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	227	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)	BDBM50060667 (CHEMBL3394695) Show SMILES Cc1nc(sc1C(=O)NCc1ccccn1)-n1cnn(Cc2ccc(cc2)C(F)(F)F)c1=O Show InChI InChI=1S/C21H17F3N6O2S/c1-13-17(18(31)26-10-16-4-2-3-9-25-16)33-19(28-13)29-12-27-30(20(29)32)11-14-5-7-15(8-6-14)21(22,23)24/h2-9,12H,10-11H2,1H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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