Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 404.4 BDBM202507

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))	BDBM202507 (US9238658, 18) Show SMILES COC(=O)c1cnc(NC(=O)N2CCC(CC2)N2CCc3ccc(F)cc23)s1 Show InChI InChI=1S/C19H21FN4O3S/c1-27-17(25)16-11-21-18(28-16)22-19(26)23-7-5-14(6-8-23)24-9-4-12-2-3-13(20)10-15(12)24/h2-3,10-11,14H,4-9H2,1H3,(H,21,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	363	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 uL using 10 ug of RLM (prepared as described above) in a 96-well polypropylene plate (enzyme reac...				US Patent US9238658 (2016) BindingDB Entry DOI: 10.7270/Q2930S1D
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