Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 1/2' and Ligand = 'BDBM50482281'   

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 1/2 (Homo sapiens (Human))	BDBM50482281 (CHEMBL1170517) Show SMILES CC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)N1CCN(CC1)C(=O)c1cc(nc(c1)-c1ccc(OCCO)cc1)-c1ccccc1 Show InChI InChI=1S/C37H45N5O5/c1-27(44)39-15-11-30(12-16-39)36(45)41-17-13-32(14-18-41)40-19-21-42(22-20-40)37(46)31-25-34(28-5-3-2-4-6-28)38-35(26-31)29-7-9-33(10-8-29)47-24-23-43/h2-10,25-26,30,32,43H,11-24H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC1/2-mediated malonyl-CoA synthesis				Bioorg Med Chem Lett 20: 3965-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.134 BindingDB Entry DOI: 10.7270/Q2F76GC2
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