Identical Ligands in BindingDB

Found 7 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	koff s-1	kon M-1s-1	pH	Temp °C
D-amino-acid oxidase   (347/347 = 100%)† (Homo sapiens (Human))	BDBM50260722 (4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...) Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1 Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine				J Med Chem 56: 3710-24 (2013) Article DOI: 10.1021/jm4002583 BindingDB Entry DOI: 10.7270/Q2X92CPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase   (347/347 = 100%)† (Homo sapiens (Human))	BDBM50260722 (4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...) Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1 Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serine				J Med Chem 56: 3710-24 (2013) Article DOI: 10.1021/jm4002583 BindingDB Entry DOI: 10.7270/Q2X92CPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase   (347/347 = 100%)† (Homo sapiens (Human))	BDBM50260722 (4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...) Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1 Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase   (347/347 = 100%)† (Homo sapiens (Human))	BDBM50260722 (4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...) Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1 Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant DAAO at 520 nm spectral modification by stopped flow spectrophotometric analysis in presence of FAD				J Med Chem 56: 3710-24 (2013) Article DOI: 10.1021/jm4002583 BindingDB Entry DOI: 10.7270/Q2X92CPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase   (347/347 = 100%)† (Homo sapiens (Human))	BDBM50260722 (4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...) Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1 Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant DAAO at 520 nm spectral modification by spectrophotometric analysis in presence of FAD				J Med Chem 56: 3710-24 (2013) Article DOI: 10.1021/jm4002583 BindingDB Entry DOI: 10.7270/Q2X92CPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase   (347/347 = 100%)† (Homo sapiens (Human))	BDBM50260722 (4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...) Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1 Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant DAAO at 490 nm spectral modification by spectrophotometric analysis in presence of FAD				J Med Chem 56: 3710-24 (2013) Article DOI: 10.1021/jm4002583 BindingDB Entry DOI: 10.7270/Q2X92CPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase   (347/347 = 100%)† (Homo sapiens (Human))	BDBM50260722 (4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...) Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1 Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant DAAO by stopped flow spectrophotometric analysis in presence of FAD				J Med Chem 56: 3710-24 (2013) Article DOI: 10.1021/jm4002583 BindingDB Entry DOI: 10.7270/Q2X92CPC
					More data for this Ligand-Target Pair				3D Structure (crystal)

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