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BDBM31148 3-hydroxyquinolin-2(1H)-one, 2

SMILES: Oc1cc2ccccc2[nH]c1=O

InChI Key: InChIKey=BERPCVULMUPOER-UHFFFAOYSA-N

Data: 8 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 31148   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D-Amino Acid Oxidase (DAAO)


(Homo sapiens (human))
BDBM31148
PNG
(3-hydroxyquinolin-2(1H)-one, 2)
Show SMILES Oc1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
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Article
PubMed
n/an/a 4n/an/an/an/a8.522



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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31148
PNG
(3-hydroxyquinolin-2(1H)-one, 2)
Show SMILES Oc1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
KEGG

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Article
PubMed
n/an/a 855n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)

More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Homo sapiens (human))
BDBM31148
PNG
(3-hydroxyquinolin-2(1H)-one, 2)
Show SMILES Oc1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
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Article
PubMed
n/an/an/a 13n/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-Amino Acid Oxidase (DAAO)


(Rattus norvegicus (rat))
BDBM31148
PNG
(3-hydroxyquinolin-2(1H)-one, 2)
Show SMILES Oc1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
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Article
PubMed
n/an/a 215n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Homo sapiens (human))
BDBM31148
PNG
(3-hydroxyquinolin-2(1H)-one, 2)
Show SMILES Oc1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
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Article
PubMed
n/an/a 6.90n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-Amino Acid Oxidase (DAAO)


(Rattus norvegicus (rat))
BDBM31148
PNG
(3-hydroxyquinolin-2(1H)-one, 2)
Show SMILES Oc1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
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PubMed
n/an/a 94n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of rat spinal DAAO using D-alanine as substrate assessed as pyruvate production incubated for 60 mins by microplate reader analysis


Citation and Details
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Sus scrofa (pig))
BDBM31148
PNG
(3-hydroxyquinolin-2(1H)-one, 2)
Show SMILES Oc1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
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n/an/a 100n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-Amino Acid Oxidase (DAAO)


(Homo sapiens (human))
BDBM31148
PNG
(3-hydroxyquinolin-2(1H)-one, 2)
Show SMILES Oc1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
PDB
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Article
PubMed
n/an/a 42n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-Amino Acid Oxidase (DAAO)


(Homo sapiens (human))
BDBM31148
PNG
(3-hydroxyquinolin-2(1H)-one, 2)
Show SMILES Oc1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
PDB
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PC cid
PC sid
PDB
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MMDB
PDB
PubMed
n/an/a 43n/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)