Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 430.5 BDBM50202696

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))	BDBM50202696 (1-ethyl-N-(4-(2-(4-phenoxyphenoxy)thiazol-5-yl)but...) Show SMILES CCn1ccc(NC(C)C#Cc2cnc(Oc3ccc(Oc4ccccc4)cc3)s2)n1 |w:7.7| Show InChI InChI=1S/C24H22N4O2S/c1-3-28-16-15-23(27-28)26-18(2)9-14-22-17-25-24(31-22)30-21-12-10-20(11-13-21)29-19-7-5-4-6-8-19/h4-8,10-13,15-18H,3H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of ACC2				Bioorg Med Chem Lett 17: 1803-7 (2007) Article DOI: 10.1016/j.bmcl.2006.12.047 BindingDB Entry DOI: 10.7270/Q28C9VXR
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50202696 (1-ethyl-N-(4-(2-(4-phenoxyphenoxy)thiazol-5-yl)but...) Show SMILES CCn1ccc(NC(C)C#Cc2cnc(Oc3ccc(Oc4ccccc4)cc3)s2)n1 |w:7.7| Show InChI InChI=1S/C24H22N4O2S/c1-3-28-16-15-23(27-28)26-18(2)9-14-22-17-25-24(31-22)30-21-12-10-20(11-13-21)29-19-7-5-4-6-8-19/h4-8,10-13,15-18H,3H2,1-2H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 ACC1				Bioorg Med Chem Lett 17: 1803-7 (2007) Article DOI: 10.1016/j.bmcl.2006.12.047 BindingDB Entry DOI: 10.7270/Q28C9VXR
					More data for this Ligand-Target Pair