Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 1' and Ligand = 'BDBM50355919'   

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 (Homo sapiens (Human))	BDBM50355919 (CHEMBL1910389) Show SMILES CCN1Cc2ccc(cc2C1=O)N1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12 Show InChI InChI=1S/C29H27N3O2/c1-2-30-19-22-11-12-23(18-26(22)28(30)33)31-13-15-32(16-14-31)29(34)27-24-9-5-3-7-20(24)17-21-8-4-6-10-25(21)27/h3-12,17-18H,2,13-16,19H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC1				Bioorg Med Chem Lett 21: 6314-8 (2011) Article DOI: 10.1016/j.bmcl.2011.08.117 BindingDB Entry DOI: 10.7270/Q2P84C9P
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