Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM50350751'   

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))	BDBM50350751 (CHEMBL1818301) Show SMILES CCOC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCN(C)C)CC2)CC1 |r,wU:7.6,wD:10.10,(-8.16,2.85,;-6.83,3.62,;-5.49,2.85,;-4.16,3.62,;-4.16,5.16,;-2.83,2.85,;-2.82,1.31,;-1.49,.55,;-.15,1.32,;1.18,.55,;1.19,-.99,;2.52,-1.76,;2.53,-3.3,;3.87,-4.06,;5.2,-3.28,;3.88,-5.6,;5.21,-6.36,;5.22,-7.91,;3.89,-8.68,;2.55,-7.91,;1.22,-8.69,;-.11,-7.92,;-.11,-6.38,;1.22,-5.61,;2.55,-6.37,;6.56,-8.67,;6.55,-10.21,;7.88,-10.97,;9.22,-10.2,;10.55,-10.97,;10.55,-12.51,;11.88,-13.28,;11.88,-14.82,;13.22,-12.51,;9.22,-8.66,;7.88,-7.89,;-.15,-1.77,;-1.48,-1,)| Show InChI InChI=1S/C30H45N5O3/c1-4-38-30(37)32-21-24-11-9-23(10-12-24)20-31-29(36)26-19-28(33-27-8-6-5-7-25(26)27)35-17-14-22(15-18-35)13-16-34(2)3/h5-8,19,22-24H,4,9-18,20-21H2,1-3H3,(H,31,36)(H,32,37)/t23-,24-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+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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