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BDBM50342531 (S)-2-(2-amino-3-(4'-hydroxybiphenyl-4-yl)propanamido)benzoic acid::CHEMBL1770171

SMILES: N[C@@H](Cc1ccc(cc1)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O

InChI Key: InChIKey=OJPOKJHIBDWWNX-TWYLJJHKNA-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 = 50342531   
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))
BDBM50342531
PNG
((S)-2-(2-amino-3-(4'-hydroxybiphenyl-4-yl)propanam...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1/C22H20N2O4/c23-19(21(26)24-20-4-2-1-3-18(20)22(27)28)13-14-5-7-15(8-6-14)16-9-11-17(25)12-10-16/h1-12,19,25H,13,23H2,(H,24,26)(H,27,28)/t19-/s2
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 3.20E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109A receptor expressed in CHO-K1 cells after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342531
PNG
((S)-2-(2-amino-3-(4'-hydroxybiphenyl-4-yl)propanam...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1/C22H20N2O4/c23-19(21(26)24-20-4-2-1-3-18(20)22(27)28)13-14-5-7-15(8-6-14)16-9-11-17(25)12-10-16/h1-12,19,25H,13,23H2,(H,24,26)(H,27,28)/t19-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor


Bioorg Med Chem Lett 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair