Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 329.4 BDBM50132614

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50132614 (2-(1-Ethoxyimino-propyl)-3-hydroxy-5-(2,4,6-trimet...) Show SMILES CCO\N=C(/CC)C1C(=O)CC(CC1=O)c1c(C)cc(C)cc1C |(10.22,1.24,;8.68,1.25,;7.89,-.09,;6.35,-.08,;5.58,-1.41,;6.35,-2.75,;7.89,-2.75,;4.04,-1.41,;3.27,-.05,;4.04,1.26,;1.73,-.05,;.96,-1.4,;1.73,-2.74,;3.27,-2.74,;4.04,-4.07,;-.58,-1.38,;-1.35,-.05,;-.58,1.28,;-2.89,-.05,;-3.64,-1.4,;-5.18,-1.4,;-2.89,-2.71,;-1.35,-2.71,;-.58,-4.06,)| Show InChI InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,20H,6-7,10-11H2,1-5H3/b21-16+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against rat heart ACC by the carboxylation of acetyl-CoA with [14C]-HCO3- to form [14C]-malonyl CoA; 18-40 u...				Bioorg Med Chem Lett 13: 3237-42 (2003) BindingDB Entry DOI: 10.7270/Q2TT4QB1
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