Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 337.4 BDBM50189627

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

Found 3 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))	BDBM50189627 (CHEMBL212460 | N-{3-[4-(4-isopropoxyphenoxy)phenyl...) Show SMILES CC(C)Oc1ccc(Oc2ccc(cc2)C#CC(C)NC(C)=O)cc1 Show InChI InChI=1S/C21H23NO3/c1-15(2)24-19-11-13-21(14-12-19)25-20-9-7-18(8-10-20)6-5-16(3)22-17(4)23/h7-16H,1-4H3,(H,22,23)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC2 expressed in baculovirus/sf9 system				J Med Chem 49: 3770-3 (2006) Article DOI: 10.1021/jm060484v BindingDB Entry DOI: 10.7270/Q2M61M20
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50189627 (CHEMBL212460 | N-{3-[4-(4-isopropoxyphenoxy)phenyl...) Show SMILES CC(C)Oc1ccc(Oc2ccc(cc2)C#CC(C)NC(C)=O)cc1 Show InChI InChI=1S/C21H23NO3/c1-15(2)24-19-11-13-21(14-12-19)25-20-9-7-18(8-10-20)6-5-16(3)22-17(4)23/h7-16H,1-4H3,(H,22,23)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human ACC2 expressed in baculovirus infected sf9 cells using acetyl-CoA as substrate afte...				Bioorg Med Chem 24: 5258-5269 (2016) Article DOI: 10.1016/j.bmc.2016.08.045 BindingDB Entry DOI: 10.7270/Q2S46TXF
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50189627 (CHEMBL212460 | N-{3-[4-(4-isopropoxyphenoxy)phenyl...) Show SMILES CC(C)Oc1ccc(Oc2ccc(cc2)C#CC(C)NC(C)=O)cc1 Show InChI InChI=1S/C21H23NO3/c1-15(2)24-19-11-13-21(14-12-19)25-20-9-7-18(8-10-20)6-5-16(3)22-17(4)23/h7-16H,1-4H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC1 expressed in HEK293 cells				J Med Chem 49: 3770-3 (2006) Article DOI: 10.1021/jm060484v BindingDB Entry DOI: 10.7270/Q2M61M20
					More data for this Ligand-Target Pair