Affinity Data by PDB ID

PDB code 3FF6

Identical Ligands in BindingDB

Found 9 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Acetyl-CoA carboxylase 2 (757/758 > 99%)^† (Homo sapiens (Human))	BDBM50189617 ((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC2				Bioorg Med Chem Lett 21: 6314-8 (2011) Article DOI: 10.1016/j.bmcl.2011.08.117 BindingDB Entry DOI: 10.7270/Q2P84C9P
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetyl-CoA carboxylase 2 (757/758 > 99%)^† (Homo sapiens (Human))	BDBM50189617 ((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	38	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 16: 6078-81 (2006) Article DOI: 10.1016/j.bmcl.2006.08.100 BindingDB Entry DOI: 10.7270/Q2RJ4J4W
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetyl-CoA carboxylase 2 (757/758 > 99%)^† (Homo sapiens (Human))	BDBM50189617 ((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	38	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
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetyl-CoA carboxylase (650/758 = 86%)^† (Rattus norvegicus (Rat))	BDBM50189617 ((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Torrent Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of rat acetyl-CoA carboxylase 2				Bioorg Med Chem Lett 19: 949-53 (2009) Article DOI: 10.1016/j.bmcl.2008.11.099 BindingDB Entry DOI: 10.7270/Q25T3KB3
Torrent Pharmaceuticals Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetyl-CoA carboxylase (650/758 = 86%)^† (Rattus norvegicus (Rat))	BDBM50189617 ((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Inhibition of rat ACC2				Bioorg Med Chem Lett 19: 6645-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.012 BindingDB Entry DOI: 10.7270/Q2ZP468S
Taisho Pharmaceutical Co, Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetyl-CoA carboxylase 2 (757/758 > 99%)^† (Homo sapiens (Human))	BDBM50189617 ((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against rat ACC2				J Med Chem 49: 3770-3 (2006) Article DOI: 10.1021/jm060484v BindingDB Entry DOI: 10.7270/Q2M61M20
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetyl-CoA carboxylase 2 (757/758 > 99%)^† (Homo sapiens (Human))	BDBM50189617 ((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetyl-CoA carboxylase (650/758 = 86%)^† (Rattus norvegicus (Rat))	BDBM50189617 ((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of ACC2 in obese Zucker rat assessed as reduction in hepatic malonyl-coA level preincubated for 15 mins measured after 1.5 hrs using Malac...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
AstraZeneca Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetyl-CoA carboxylase 2 (757/758 > 99%)^† (Homo sapiens (Human))	BDBM50189617 ((3R)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC2				Bioorg Med Chem Lett 19: 6645-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.012 BindingDB Entry DOI: 10.7270/Q2ZP468S
Taisho Pharmaceutical Co, Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output