BDBM50060657 CHEMBL3394679

SMILES: Cc1nc(sc1C(=O)NCc1cnc(C)cn1)-n1cnn(Cc2ccc(F)cc2)c1=O

InChI Key: InChIKey=QGCICRMMUPZJRA-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 = 50060657   

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 (Mus musculus)	BDBM50060657 (CHEMBL3394679) Show SMILES Cc1nc(sc1C(=O)NCc1cnc(C)cn1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C20H18FN7O2S/c1-12-7-23-16(8-22-12)9-24-18(29)17-13(2)26-19(31-17)27-11-25-28(20(27)30)10-14-3-5-15(21)6-4-14/h3-8,11H,9-10H2,1-2H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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
Stearoyl-CoA desaturase 1 (Homo sapiens (Human))	BDBM50060657 (CHEMBL3394679) Show SMILES Cc1nc(sc1C(=O)NCc1cnc(C)cn1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C20H18FN7O2S/c1-12-7-23-16(8-22-12)9-24-18(29)17-13(2)26-19(31-17)27-11-25-28(20(27)30)10-14-3-5-15(21)6-4-14/h3-8,11H,9-10H2,1-2H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	194	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