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BDBM105189 5-chloropyridine-2,3-diol (CV22-1)::CHEMBL2338783

SMILES: Oc1cc(Cl)c[nH]c1=O

InChI Key: InChIKey=AJGLCXBDYCEVIE-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 105189   
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
H1N1 Endonuclease


(2009 H1N1 Influenza)
BDBM105189
PNG
(5-chloropyridine-2,3-diol (CV22-1) | CHEMBL2338783)
Show SMILES Oc1cc(Cl)c[nH]c1=O
Show InChI InChI=1S/C5H4ClNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)
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MMDB

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MCE
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Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Rutgers University





ACS Chem Biol 8: 2501-8 (2013)


Article DOI: 10.1021/cb400400j
BindingDB Entry DOI: 10.7270/Q28W3BZW
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM105189
PNG
(5-chloropyridine-2,3-diol (CV22-1) | CHEMBL2338783)
Show SMILES Oc1cc(Cl)c[nH]c1=O
Show InChI InChI=1S/C5H4ClNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)
PDB
MMDB

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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 47n/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))
BDBM105189
PNG
(5-chloropyridine-2,3-diol (CV22-1) | CHEMBL2338783)
Show SMILES Oc1cc(Cl)c[nH]c1=O
Show InChI InChI=1S/C5H4ClNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 930n/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)


Article DOI: 10.1021/jm400095b
BindingDB Entry DOI: 10.7270/Q2HT2QPZ
More data for this
Ligand-Target Pair
H1N1 Endonuclease


(2009 H1N1 Influenza)
BDBM105189
PNG
(5-chloropyridine-2,3-diol (CV22-1) | CHEMBL2338783)
Show SMILES Oc1cc(Cl)c[nH]c1=O
Show InChI InChI=1S/C5H4ClNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Rutgers University



Assay Description
Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...


ACS Chem Biol 8: 2501-8 (2013)


Article DOI: 10.1021/cb400400j
BindingDB Entry DOI: 10.7270/Q28W3BZW
More data for this
Ligand-Target Pair