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BDBM50431065 CHEMBL2338799::US10202399, Example 16

SMILES: COc1cccc(CCc2cc(O)c(=O)[nH]n2)c1

InChI Key: InChIKey=RPPHASUEWQGCLO-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50431065   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431065
PNG
(CHEMBL2338799 | US10202399, Example 16)
Show SMILES COc1cccc(CCc2cc(O)c(=O)[nH]n2)c1
Show InChI InChI=1S/C13H14N2O3/c1-18-11-4-2-3-9(7-11)5-6-10-8-12(16)13(17)15-14-10/h2-4,7-8H,5-6H2,1H3,(H,14,16)(H,15,17)
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Article
PubMed
n/an/a 8.80n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human full length DAAO overexpressed in HEK293 cells 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
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431065
PNG
(CHEMBL2338799 | US10202399, Example 16)
Show SMILES COc1cccc(CCc2cc(O)c(=O)[nH]n2)c1
Show InChI InChI=1S/C13H14N2O3/c1-18-11-4-2-3-9(7-11)5-6-10-8-12(16)13(17)15-14-10/h2-4,7-8H,5-6H2,1H3,(H,14,16)(H,15,17)
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n/an/a 2.10n/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)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50431065
PNG
(CHEMBL2338799 | US10202399, Example 16)
Show SMILES COc1cccc(CCc2cc(O)c(=O)[nH]n2)c1
Show InChI InChI=1S/C13H14N2O3/c1-18-11-4-2-3-9(7-11)5-6-10-8-12(16)13(17)15-14-10/h2-4,7-8H,5-6H2,1H3,(H,14,16)(H,15,17)
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US Patent
n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

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...


US Patent US10202399 (2019)


BindingDB Entry DOI: 10.7270/Q2542QQD
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Mus musculus)
BDBM50431065
PNG
(CHEMBL2338799 | US10202399, Example 16)
Show SMILES COc1cccc(CCc2cc(O)c(=O)[nH]n2)c1
Show InChI InChI=1S/C13H14N2O3/c1-18-11-4-2-3-9(7-11)5-6-10-8-12(16)13(17)15-14-10/h2-4,7-8H,5-6H2,1H3,(H,14,16)(H,15,17)
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n/an/a 4.40n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse full length DAAO overexpressed in HEK293 cells 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
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Rattus norvegicus (rat))
BDBM50431065
PNG
(CHEMBL2338799 | US10202399, Example 16)
Show SMILES COc1cccc(CCc2cc(O)c(=O)[nH]n2)c1
Show InChI InChI=1S/C13H14N2O3/c1-18-11-4-2-3-9(7-11)5-6-10-8-12(16)13(17)15-14-10/h2-4,7-8H,5-6H2,1H3,(H,14,16)(H,15,17)
Reactome pathway
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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of rat full length DAAO overexpressed in HEK293 cells 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
More data for this
Ligand-Target Pair