Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 437.3 BDBM50203983

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

Found 2 hits 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 2 (Homo sapiens (Human))	BDBM50203983 (CHEMBL233005 | N-(4-(2-(2-bromo-4-isobutoxyphenoxy...) Show SMILES CC(C)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(Br)c1 |w:17.18| Show InChI InChI=1S/C19H21BrN2O3S/c1-12(2)11-24-15-6-8-18(17(20)9-15)25-19-21-10-16(26-19)7-5-13(3)22-14(4)23/h6,8-10,12-13H,11H2,1-4H3,(H,22,23)	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC2				Bioorg Med Chem Lett 17: 1961-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.022 BindingDB Entry DOI: 10.7270/Q2W095KS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50203983 (CHEMBL233005 | N-(4-(2-(2-bromo-4-isobutoxyphenoxy...) Show SMILES CC(C)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(Br)c1 |w:17.18| Show InChI InChI=1S/C19H21BrN2O3S/c1-12(2)11-24-15-6-8-18(17(20)9-15)25-19-21-10-16(26-19)7-5-13(3)22-14(4)23/h6,8-10,12-13H,11H2,1-4H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC1				Bioorg Med Chem Lett 17: 1961-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.022 BindingDB Entry DOI: 10.7270/Q2W095KS
					More data for this Ligand-Target Pair