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PDB code 3W4J

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 5 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))
BDBM50431079
PNG
(CHEMBL2338785 | US9180122, 27 | US9212147, 9)
Show SMILES Oc1cc(CCc2ccccc2)c[nH]c1=O
Show InChI InChI=1S/C13H13NO2/c15-12-8-11(9-14-13(12)16)7-6-10-4-2-1-3-5-10/h1-5,8-9,15H,6-7H2,(H,14,16)
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Article
PubMed
n/an/a 3.90n/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))
BDBM50431079
PNG
(CHEMBL2338785 | US9180122, 27 | US9212147, 9)
Show SMILES Oc1cc(CCc2ccccc2)c[nH]c1=O
Show InChI InChI=1S/C13H13NO2/c15-12-8-11(9-14-13(12)16)7-6-10-4-2-1-3-5-10/h1-5,8-9,15H,6-7H2,(H,14,16)
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US Patent
n/an/a 3.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...


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

  (347/347 = 100%)
(Homo sapiens (human))
BDBM50431079
PNG
(CHEMBL2338785 | US9180122, 27 | US9212147, 9)
Show SMILES Oc1cc(CCc2ccccc2)c[nH]c1=O
Show InChI InChI=1S/C13H13NO2/c15-12-8-11(9-14-13(12)16)7-6-10-4-2-1-3-5-10/h1-5,8-9,15H,6-7H2,(H,14,16)
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Article
PubMed
n/an/a 20n/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))
BDBM50431079
PNG
(CHEMBL2338785 | US9180122, 27 | US9212147, 9)
Show SMILES Oc1cc(CCc2ccccc2)c[nH]c1=O
Show InChI InChI=1S/C13H13NO2/c15-12-8-11(9-14-13(12)16)7-6-10-4-2-1-3-5-10/h1-5,8-9,15H,6-7H2,(H,14,16)
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US Patent
n/an/a 20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This test was performed by partially modifying the method of Philip et. al. (J. Biomol. Screen. Vol. 11, pp 481-487, 2006). HEK293 cells that stably ...


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

  (347/347 = 100%)
(Homo sapiens (human))
BDBM50431079
PNG
(CHEMBL2338785 | US9180122, 27 | US9212147, 9)
Show SMILES Oc1cc(CCc2ccccc2)c[nH]c1=O
Show InChI InChI=1S/C13H13NO2/c15-12-8-11(9-14-13(12)16)7-6-10-4-2-1-3-5-10/h1-5,8-9,15H,6-7H2,(H,14,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 140n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which c...


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

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