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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hydroxycarboxylic acid receptor 2' and Ligand = 'BDBM50319102'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319102
PNG
(5-(3,5-difluorophenyl)-2-(3-(6-hydroxynaphthalen-2...)
Show SMILES OC(=O)C1=C(CCC(C1)c1cc(F)cc(F)c1)NC(=O)CCc1ccc2cc(O)ccc2c1 |t:3|
Show InChI InChI=1S/C26H23F2NO4/c27-20-10-19(11-21(28)14-20)18-5-7-24(23(13-18)26(32)33)29-25(31)8-2-15-1-3-17-12-22(30)6-4-16(17)9-15/h1,3-4,6,9-12,14,18,30H,2,5,7-8,13H2,(H,29,31)(H,32,33)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319102
PNG
(5-(3,5-difluorophenyl)-2-(3-(6-hydroxynaphthalen-2...)
Show SMILES OC(=O)C1=C(CCC(C1)c1cc(F)cc(F)c1)NC(=O)CCc1ccc2cc(O)ccc2c1 |t:3|
Show InChI InChI=1S/C26H23F2NO4/c27-20-10-19(11-21(28)14-20)18-5-7-24(23(13-18)26(32)33)29-25(31)8-2-15-1-3-17-12-22(30)6-4-16(17)9-15/h1,3-4,6,9-12,14,18,30H,2,5,7-8,13H2,(H,29,31)(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 11n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human niacin receptor expressed in CHO-KI cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair