Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 416.4 BDBM60554

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))	BDBM60554 (US9102669, 58) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12 Show InChI InChI=1S/C24H21FN4O2/c25-19-6-5-17-9-14-29(22(17)15-19)20-10-12-28(13-11-20)23-8-7-21(26-27-23)16-1-3-18(4-2-16)24(30)31/h1-9,14-15,20H,10-13H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	349	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
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