BDBM50425262 CHEMBL2315476

SMILES: CCCNC(=O)c1ccc(nn1)N1CCC2(CC1)CCN(Cc1cccc(c1)C(F)(F)F)c1ccccc1O2

InChI Key: InChIKey=DKOVSCAUXWIEAU-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 = 50425262   

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 (SCD1) (Rattus norvegicus (Rat))	BDBM50425262 (CHEMBL2315476) Show SMILES CCCNC(=O)c1ccc(nn1)N1CCC2(CC1)CCN(Cc1cccc(c1)C(F)(F)F)c1ccccc1O2 Show InChI InChI=1S/C29H32F3N5O2/c1-2-15-33-27(38)23-10-11-26(35-34-23)36-16-12-28(13-17-36)14-18-37(24-8-3-4-9-25(24)39-28)20-21-6-5-7-22(19-21)29(30,31)32/h3-11,19H,2,12-18,20H2,1H3,(H,33,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rat SCD1 by rat microsomal assay				Bioorg Med Chem Lett 23: 791-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.075 BindingDB Entry DOI: 10.7270/Q26H4JQ6
					More data for this Ligand-Target Pair