Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 445.5 BDBM202515

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))	BDBM202515 (US9238658, 38) Show SMILES OCCN1CCc2nc(NC(=O)N3CCC(CC3)N3CCc4ccc(F)cc34)sc2C1 Show InChI InChI=1S/C22H28FN5O2S/c23-16-2-1-15-3-10-28(19(15)13-16)17-4-8-27(9-5-17)22(30)25-21-24-18-6-7-26(11-12-29)14-20(18)31-21/h1-2,13,17,29H,3-12,14H2,(H,24,25,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	770	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
					More data for this Ligand-Target Pair