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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 = 'BDBM50277755'   
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))
BDBM50277755
PNG
(2-[3-(7-Hydroxy-benzo[d]imidazo[2,1-b]thiazol-2-yl...)
Show SMILES OC(=O)C1=C(CCC1)NC(=O)CCc1cn2c(n1)sc1cc(O)ccc21 |t:3|
Show InChI InChI=1S/C18H17N3O4S/c22-11-5-6-14-15(8-11)26-18-19-10(9-21(14)18)4-7-16(23)20-13-3-1-2-12(13)17(24)25/h5-6,8-9,22H,1-4,7H2,(H,20,23)(H,24,25)
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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human GPR109A expressed in CHO cells


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277755
PNG
(2-[3-(7-Hydroxy-benzo[d]imidazo[2,1-b]thiazol-2-yl...)
Show SMILES OC(=O)C1=C(CCC1)NC(=O)CCc1cn2c(n1)sc1cc(O)ccc21 |t:3|
Show InChI InChI=1S/C18H17N3O4S/c22-11-5-6-14-15(8-11)26-18-19-10(9-21(14)18)4-7-16(23)20-13-3-1-2-12(13)17(24)25/h5-6,8-9,22H,1-4,7H2,(H,20,23)(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 620n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109A expressed in CHOK1 cells by [35S]GTPgammaS binding assay


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair