Affinity Data by PDB ID

PDB code 3G3E

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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
D-amino-acid oxidase (347/347 = 100%)^† (Homo sapiens (Human))	BDBM31148 (3-hydroxyquinolin-2(1H)-one, 2 \| US9701638, 1) Show SMILES Oc1cc2ccccc2[nH]c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	8.5	22
Pfizer Inc					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
Pfizer Inc					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (347/347 = 100%)^† (Homo sapiens (Human))	BDBM31148 (3-hydroxyquinolin-2(1H)-one, 2 \| US9701638, 1) Show SMILES Oc1cc2ccccc2[nH]c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant DAAO after 30 mins by plate reader analysis				J Med Chem 56: 3582-92 (2013) Article DOI: 10.1021/jm400095b BindingDB Entry DOI: 10.7270/Q2HT2QPZ
Astellas Pharma Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (347/347 = 100%)^† (Homo sapiens (Human))	BDBM31148 (3-hydroxyquinolin-2(1H)-one, 2 \| US9701638, 1) Show SMILES Oc1cc2ccccc2[nH]c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Inhibition of DAAO (unknown origin) by cell based assay				J Med Chem 56: 3582-92 (2013) Article DOI: 10.1021/jm400095b BindingDB Entry DOI: 10.7270/Q2HT2QPZ
Astellas Pharma Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (347/347 = 100%)^† (Homo sapiens (Human))	BDBM31148 (3-hydroxyquinolin-2(1H)-one, 2 \| US9701638, 1) Show SMILES Oc1cc2ccccc2[nH]c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of human recombinant DAAO using D-alanine as substrate assessed as pyruvate production incubated for 60 mins by microplate reader analysis				Eur J Med Chem 117: 19-32 (2016) Article DOI: 10.1016/j.ejmech.2016.04.017 BindingDB Entry DOI: 10.7270/Q2V989ZS
Shanghai Jiao Tong University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-Amino Acid Oxidase (DAAO) (294/347 = 85%)^† (Sus scrofa (pig))	BDBM31148 (3-hydroxyquinolin-2(1H)-one, 2 \| US9701638, 1) Show SMILES Oc1cc2ccccc2[nH]c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of DAAO in porcine kidney homogenate using D-alanine as substrate assessed as pyruvate production incubated for 5 mins by microplate reade...				Eur J Med Chem 117: 19-32 (2016) Article DOI: 10.1016/j.ejmech.2016.04.017 BindingDB Entry DOI: 10.7270/Q2V989ZS
Shanghai Jiao Tong University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-Amino Acid Oxidase (DAAO) (294/347 = 85%)^† (Sus scrofa (pig))	BDBM31148 (3-hydroxyquinolin-2(1H)-one, 2 \| US9701638, 1) Show SMILES Oc1cc2ccccc2[nH]c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to pig kidney DAAO by ITC method				Bioorg Med Chem 26: 1579-1587 (2018) BindingDB Entry DOI: 10.7270/Q2VQ359V
Hungarian Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (347/347 = 100%)^† (Homo sapiens (Human))	BDBM31148 (3-hydroxyquinolin-2(1H)-one, 2 \| US9701638, 1) Show SMILES Oc1cc2ccccc2[nH]c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
Pfizer Inc					Assay Description Binding affinity and kinetics were measured using biotinylated recombinant human DAAO bound to a Neutravidin surface in a Biacore binding assay. A cu...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
Pfizer Inc					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