BDBM50060672 CHEMBL3394690

SMILES: Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(Cc2ccc(o2)C(F)(F)F)c1=O

InChI Key: InChIKey=LPAJOYDKNFPBIJ-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 = 50060672   

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))	BDBM50060672 (CHEMBL3394690) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(Cc2ccc(o2)C(F)(F)F)c1=O Show InChI InChI=1S/C19H15F3N6O3S/c1-11-15(16(29)24-8-12-3-2-6-23-7-12)32-17(26-11)27-10-25-28(18(27)30)9-13-4-5-14(31-13)19(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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)	BDBM50060672 (CHEMBL3394690) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(Cc2ccc(o2)C(F)(F)F)c1=O Show InChI InChI=1S/C19H15F3N6O3S/c1-11-15(16(29)24-8-12-3-2-6-23-7-12)32-17(26-11)27-10-25-28(18(27)30)9-13-4-5-14(31-13)19(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,29)	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