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BDBM50319254 2-(3-(1-(5-hydroxypyridin-2-yl)-5-methyl-1H-pyrazol-4-yl)propanamido)benzoicacid::CHEMBL1086108

SMILES: Cc1c(CCC(=O)Nc2ccccc2C(O)=O)cnn1-c1ccc(O)cn1

InChI Key: InChIKey=KJDBKYUMMLVJEK-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50319254   
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))
BDBM50319254
PNG
(2-(3-(1-(5-hydroxypyridin-2-yl)-5-methyl-1H-pyrazo...)
Show SMILES Cc1c(CCC(=O)Nc2ccccc2C(O)=O)cnn1-c1ccc(O)cn1
Show InChI InChI=1S/C19H18N4O4/c1-12-13(10-21-23(12)17-8-7-14(24)11-20-17)6-9-18(25)22-16-5-3-2-4-15(16)19(26)27/h2-5,7-8,10-11,24H,6,9H2,1H3,(H,22,25)(H,26,27)
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CHEMBL
PC cid
PC sid
UniChem

Similars

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319254
PNG
(2-(3-(1-(5-hydroxypyridin-2-yl)-5-methyl-1H-pyrazo...)
Show SMILES Cc1c(CCC(=O)Nc2ccccc2C(O)=O)cnn1-c1ccc(O)cn1
Show InChI InChI=1S/C19H18N4O4/c1-12-13(10-21-23(12)17-8-7-14(24)11-20-17)6-9-18(25)22-16-5-3-2-4-15(16)19(26)27/h2-5,7-8,10-11,24H,6,9H2,1H3,(H,22,25)(H,26,27)
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 750n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair