Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 1' and Ligand = 'BDBM50127719'   

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 (Rattus norvegicus (Rat))	BDBM50127719 (CHEMBL3629712) Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OCc2ccccc2)CC1 Show InChI InChI=1S/C25H28N4O3/c1-18-13-20(14-21-15-26-27-22(18)21)23(30)28-10-7-25(8-11-28)9-12-29(17-25)24(31)32-16-19-5-3-2-4-6-19/h2-6,13-15H,7-12,16-17H2,1H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Curated by ChEMBL					Assay Description Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintil...				Bioorg Med Chem Lett 25: 5352-6 (2015) Article DOI: 10.1016/j.bmcl.2015.09.035 BindingDB Entry DOI: 10.7270/Q2W37Z4R
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