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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 = 'BDBM50319096'   
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))
BDBM50319096
PNG
(5-butyl-2-(3-(6-hydroxynaphthalen-2-yl)propanamido...)
Show SMILES CCCCC1CCC(NC(=O)CCc2ccc3cc(O)ccc3c2)=C(C1)C(O)=O |c:25|
Show InChI InChI=1S/C24H29NO4/c1-2-3-4-16-6-11-22(21(14-16)24(28)29)25-23(27)12-7-17-5-8-19-15-20(26)10-9-18(19)13-17/h5,8-10,13,15-16,26H,2-4,6-7,11-12,14H2,1H3,(H,25,27)(H,28,29)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 6n/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))
BDBM50319096
PNG
(5-butyl-2-(3-(6-hydroxynaphthalen-2-yl)propanamido...)
Show SMILES CCCCC1CCC(NC(=O)CCc2ccc3cc(O)ccc3c2)=C(C1)C(O)=O |c:25|
Show InChI InChI=1S/C24H29NO4/c1-2-3-4-16-6-11-22(21(14-16)24(28)29)25-23(27)12-7-17-5-8-19-15-20(26)10-9-18(19)13-17/h5,8-10,13,15-16,26H,2-4,6-7,11-12,14H2,1H3,(H,25,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 30n/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