Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM50350741'   

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))	BDBM50350741 (CHEMBL1818290) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCNCC2)CC1 |r,wU:9.8,wD:12.12,(47.1,-29.44,;48.43,-28.67,;48.42,-27.13,;47.09,-27.9,;49.76,-29.44,;51.1,-28.66,;51.09,-27.12,;52.43,-29.43,;52.44,-30.97,;53.78,-31.74,;55.11,-30.96,;56.44,-31.74,;56.44,-33.28,;57.77,-34.05,;57.77,-35.59,;59.1,-36.37,;60.44,-35.6,;59.1,-37.91,;60.43,-38.67,;60.44,-40.21,;59.09,-40.98,;57.76,-40.21,;56.44,-40.97,;55.11,-40.21,;55.11,-38.67,;56.45,-37.9,;57.77,-38.68,;61.76,-40.97,;61.77,-42.52,;63.1,-43.28,;64.44,-42.51,;64.43,-40.96,;63.09,-40.2,;55.11,-34.04,;53.78,-33.28,)| Show InChI InChI=1S/C27H39N5O3/c1-27(2,3)35-26(34)30-18-20-10-8-19(9-11-20)17-29-25(33)22-16-24(32-14-12-28-13-15-32)31-23-7-5-4-6-21(22)23/h4-7,16,19-20,28H,8-15,17-18H2,1-3H3,(H,29,33)(H,30,34)/t19-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
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