Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM50462060'   

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
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50462060 (CHEMBL4229067) Show SMILES C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2F)C(C)C)nc1 |r| Show InChI InChI=1S/C21H22FN3O2S/c1-12(2)21-25-16-8-9-17(19(22)20(16)28-21)27-18-10-7-15(11-23-18)6-5-13(3)24-14(4)26/h5-13H,1-4H3,(H,24,26)/b6-5+/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human ACC2 assessed as reduction in conversion of acetyl-CoA to malonyl-CoA incubated for 1 to 3 hrs with substrate by MALD...				Bioorg Med Chem Lett 28: 2498-2503 (2018) Article DOI: 10.1016/j.bmcl.2018.05.055 BindingDB Entry DOI: 10.7270/Q20V8GFW
					More data for this Ligand-Target Pair