Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 500.5 BDBM50343292

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50343292 (6-(5-Cyclopropyl-4,5-dihydro-1'H,3H-spiro[1,5-benz...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CCN(C1CC1)c1ccccc1O2)c1cccnc1 Show InChI InChI=1S/C28H32N6O3/c35-24(20-4-3-14-29-18-20)19-30-27(36)22-9-10-26(32-31-22)33-15-11-28(12-16-33)13-17-34(21-7-8-21)23-5-1-2-6-25(23)37-28/h1-6,9-10,14,18,21,24,35H,7-8,11-13,15-17,19H2,(H,30,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of mouse liver microsome SCD1				Eur J Med Chem 46: 1892-6 (2011) Article DOI: 10.1016/j.ejmech.2011.02.002 BindingDB Entry DOI: 10.7270/Q25T3KTC
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