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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 = 'BDBM50268992'   
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))
BDBM50268992
PNG
(CHEMBL4083762)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1ccc(cc1)-c1cccc(O)c1 |t:3|
Show InChI InChI=1S/C22H23NO4/c24-18-5-3-4-17(14-18)16-11-8-15(9-12-16)10-13-21(25)23-20-7-2-1-6-19(20)22(26)27/h3-5,8-9,11-12,14,24H,1-2,6-7,10,13H2,(H,23,25)(H,26,27)
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Article
PubMed
n/an/a 32n/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))
BDBM50268992
PNG
(CHEMBL4083762)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1ccc(cc1)-c1cccc(O)c1 |t:3|
Show InChI InChI=1S/C22H23NO4/c24-18-5-3-4-17(14-18)16-11-8-15(9-12-16)10-13-21(25)23-20-7-2-1-6-19(20)22(26)27/h3-5,8-9,11-12,14,24H,1-2,6-7,10,13H2,(H,23,25)(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 230n/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