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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 = 'BDBM50268975'   
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))
BDBM50268975
PNG
(CHEMBL4081260)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCC#Cc1ccc(cc1)C(O)=O |t:3|
Show InChI InChI=1S/C19H19NO5/c21-17(20-16-7-3-2-6-15(16)19(24)25)8-4-1-5-13-9-11-14(12-10-13)18(22)23/h9-12H,2-4,6-8H2,(H,20,21)(H,22,23)(H,24,25)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.62E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...


Bioorg Med Chem 25: 4314-4329 (2017)


Article DOI: 10.1016/j.bmc.2017.06.028
BindingDB Entry DOI: 10.7270/Q2D22140
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50268975
PNG
(CHEMBL4081260)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCC#Cc1ccc(cc1)C(O)=O |t:3|
Show InChI InChI=1S/C19H19NO5/c21-17(20-16-7-3-2-6-15(16)19(24)25)8-4-1-5-13-9-11-14(12-10-13)18(22)23/h9-12H,2-4,6-8H2,(H,20,21)(H,22,23)(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.61E+3n/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human HCA2 receptor expressed in Flp-IN HEK cells assessed as reduction in forskolin-stimulated cAMP accumulation mea...


Bioorg Med Chem 25: 4314-4329 (2017)


Article DOI: 10.1016/j.bmc.2017.06.028
BindingDB Entry DOI: 10.7270/Q2D22140
More data for this
Ligand-Target Pair