BDBM50445787 CHEMBL3104826

SMILES: Cc1nc(sc1C(=O)NCCc1ccccn1)N1CCN(Cc2ccc(F)cc2)C1=O

InChI Key: InChIKey=PPQOKRMBLGIXJZ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50445787   

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)	BDBM50445787 (CHEMBL3104826) Show SMILES Cc1nc(sc1C(=O)NCCc1ccccn1)N1CCN(Cc2ccc(F)cc2)C1=O Show InChI InChI=1S/C22H22FN5O2S/c1-15-19(20(29)25-11-9-18-4-2-3-10-24-18)31-21(26-15)28-13-12-27(22(28)30)14-16-5-7-17(23)8-6-16/h2-8,10H,9,11-14H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse liver microsomes				Bioorg Med Chem Lett 24: 520-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.036 BindingDB Entry DOI: 10.7270/Q2QJ7JRS
					More data for this Ligand-Target Pair