Affinity Data by PDB ID

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PDB code 3G3E

Identical Ligands in BindingDB

Found 4 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 (DAAO) (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 B.MOAD DrugBank GoogleScholar AffyNet	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					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)
Pfizer					More data for this Ligand-Target Pair				3D Structure (crystal)
D-Amino Acid Oxidase (DAAO) (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 B.MOAD DrugBank GoogleScholar AffyNet	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)
Astellas Pharma Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-Amino Acid Oxidase (DAAO) (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 B.MOAD DrugBank GoogleScholar AffyNet	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)
Astellas Pharma Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-Amino Acid Oxidase (DAAO) (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 B.MOAD DrugBank GoogleScholar AffyNet	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					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)
Pfizer					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