Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 426.4 BDBM60557

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 (Rattus norvegicus (Rat))	BDBM60557 (US9102669, 60) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C22H21F3N6/c1-29-14-16(13-26-29)19-4-5-21(28-27-19)30-9-7-18(8-10-30)31-11-6-15-2-3-17(12-20(15)31)22(23,24)25/h2-6,11-14,18H,7-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair