Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 474.2 BDBM50364027

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))	BDBM50364027 (CHEMBL1950399) Show SMILES OC(=O)c1cncc(n1)-c1ccc(nn1)N1CCC(CC1)Oc1cc(F)ccc1Br Show InChI InChI=1S/C20H17BrFN5O3/c21-14-2-1-12(22)9-18(14)30-13-5-7-27(8-6-13)19-4-3-15(25-26-19)16-10-23-11-17(24-16)20(28)29/h1-4,9-11,13H,5-8H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	772	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of rat SCD1				Bioorg Med Chem Lett 21: 7281-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.040 BindingDB Entry DOI: 10.7270/Q2G44QQZ
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