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PDB code 3G3E

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
D-Amino Acid Oxidase (DAAO)

  (347/347 = 100%)
(Homo sapiens (human))
BDBM31148
PNG
(3-hydroxyquinolin-2(1H)-one, 2 | US9701638, 1)
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 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-Amino Acid Oxidase (DAAO)

  (347/347 = 100%)
(Homo sapiens (human))
BDBM31148
PNG
(3-hydroxyquinolin-2(1H)-one, 2 | US9701638, 1)
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 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)

  (347/347 = 100%)
(Homo sapiens (human))
BDBM31148
PNG
(3-hydroxyquinolin-2(1H)-one, 2 | US9701638, 1)
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 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)

  (347/347 = 100%)
(Homo sapiens (human))
BDBM31148
PNG
(3-hydroxyquinolin-2(1H)-one, 2 | US9701638, 1)
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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UniProtKB/SwissProt

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PC cid
PC sid
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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)

Search BindingMOAD for More Affinity Data:

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