Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 389.4 BDBM174862

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))	BDBM174862 (US9102669, 25) Show SMILES Cc1cc(ccn1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12 Show InChI InChI=1S/C22H20FN5O/c1-14-12-16(6-9-24-14)19-3-5-21(26-25-19)28-10-7-15(8-11-28)22-18-13-17(23)2-4-20(18)29-27-22/h2-6,9,12-13,15H,7-8,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	171	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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