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BDBM50227767 2-(1-(quinolin-2-yl)piperazine-4-carboxamido)benzoic acid::CHEMBL252307

SMILES: OC(=O)c1ccccc1NC(=O)N1CCN(CC1)c1ccc2ccccc2n1

InChI Key: InChIKey=MFVAHNBRANJYPD-UHFFFAOYSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 50227767   
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))
BDBM50227767
PNG
(2-(1-(quinolin-2-yl)piperazine-4-carboxamido)benzo...)
Show SMILES OC(=O)c1ccccc1NC(=O)N1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C21H20N4O3/c26-20(27)16-6-2-4-8-18(16)23-21(28)25-13-11-24(12-14-25)19-10-9-15-5-1-3-7-17(15)22-19/h1-10H,11-14H2,(H,23,28)(H,26,27)
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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 5.90E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR106A by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 6723-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.055
BindingDB Entry DOI: 10.7270/Q2R2114Q
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50227767
PNG
(2-(1-(quinolin-2-yl)piperazine-4-carboxamido)benzo...)
Show SMILES OC(=O)c1ccccc1NC(=O)N1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C21H20N4O3/c26-20(27)16-6-2-4-8-18(16)23-21(28)25-13-11-24(12-14-25)19-10-9-15-5-1-3-7-17(15)22-19/h1-10H,11-14H2,(H,23,28)(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human GPR109A


Bioorg Med Chem Lett 17: 6723-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.055
BindingDB Entry DOI: 10.7270/Q2R2114Q
More data for this
Ligand-Target Pair