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BDBM50325913 2-(3-(2-chlorophenoxy)propoxy)pyrido[2,3-d]pyrimidin-4(3H)-one::CHEMBL1224070

SMILES: Clc1ccccc1OCCCOc1nc2ncccc2c(=O)[nH]1

InChI Key: InChIKey=JAETYFQMGNCXCJ-UHFFFAOYSA-N

Data: 3 IC50  2 EC50

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 5 hits for monomerid = 50325913   
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
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50325913
PNG
(2-(3-(2-chlorophenoxy)propoxy)pyrido[2,3-d]pyrimid...)
Show SMILES Clc1ccccc1OCCCOc1nc2ncccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14ClN3O3/c17-12-6-1-2-7-13(12)22-9-4-10-23-16-19-14-11(15(21)20-16)5-3-8-18-14/h1-3,5-8H,4,9-10H2,(H,18,19,20,21)
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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radioligand from human GPR109A


Bioorg Med Chem Lett 20: 5426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.108
BindingDB Entry DOI: 10.7270/Q2NV9JGF
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50325913
PNG
(2-(3-(2-chlorophenoxy)propoxy)pyrido[2,3-d]pyrimid...)
Show SMILES Clc1ccccc1OCCCOc1nc2ncccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14ClN3O3/c17-12-6-1-2-7-13(12)22-9-4-10-23-16-19-14-11(15(21)20-16)5-3-8-18-14/h1-3,5-8H,4,9-10H2,(H,18,19,20,21)
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PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 190n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR109A receptor assessed as GTPgammaS binding


Bioorg Med Chem Lett 20: 5426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.108
BindingDB Entry DOI: 10.7270/Q2NV9JGF
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50325913
PNG
(2-(3-(2-chlorophenoxy)propoxy)pyrido[2,3-d]pyrimid...)
Show SMILES Clc1ccccc1OCCCOc1nc2ncccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14ClN3O3/c17-12-6-1-2-7-13(12)22-9-4-10-23-16-19-14-11(15(21)20-16)5-3-8-18-14/h1-3,5-8H,4,9-10H2,(H,18,19,20,21)
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radioligand from rat GPR109A


Bioorg Med Chem Lett 20: 5426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.108
BindingDB Entry DOI: 10.7270/Q2NV9JGF
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50325913
PNG
(2-(3-(2-chlorophenoxy)propoxy)pyrido[2,3-d]pyrimid...)
Show SMILES Clc1ccccc1OCCCOc1nc2ncccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14ClN3O3/c17-12-6-1-2-7-13(12)22-9-4-10-23-16-19-14-11(15(21)20-16)5-3-8-18-14/h1-3,5-8H,4,9-10H2,(H,18,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 50n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109A receptor assessed as GTPgammaS binding


Bioorg Med Chem Lett 20: 5426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.108
BindingDB Entry DOI: 10.7270/Q2NV9JGF
More data for this
Ligand-Target Pair
HM74 nicotinic acid GPCR


(Homo sapiens (Human))
BDBM50325913
PNG
(2-(3-(2-chlorophenoxy)propoxy)pyrido[2,3-d]pyrimid...)
Show SMILES Clc1ccccc1OCCCOc1nc2ncccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14ClN3O3/c17-12-6-1-2-7-13(12)22-9-4-10-23-16-19-14-11(15(21)20-16)5-3-8-18-14/h1-3,5-8H,4,9-10H2,(H,18,19,20,21)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radioligand from human GPR109B


Bioorg Med Chem Lett 20: 5426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.108
BindingDB Entry DOI: 10.7270/Q2NV9JGF
More data for this
Ligand-Target Pair