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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50434457'   
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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50434457
PNG
(CHEMBL2387691)
Show SMILES Cc1nn(c(C)c1CC(O)=O)-c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C23H23N3O3/c1-14-19(13-22(27)28)15(2)26(25-14)18-10-6-9-17(11-18)24-23(29)21-12-20(21)16-7-4-3-5-8-16/h3-11,20-21H,12-13H2,1-2H3,(H,24,29)(H,27,28)/t20-,21+/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding preinc...


Bioorg Med Chem Lett 23: 3349-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.093
BindingDB Entry DOI: 10.7270/Q2C24XSQ
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50434457
PNG
(CHEMBL2387691)
Show SMILES Cc1nn(c(C)c1CC(O)=O)-c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C23H23N3O3/c1-14-19(13-22(27)28)15(2)26(25-14)18-10-6-9-17(11-18)24-23(29)21-12-20(21)16-7-4-3-5-8-16/h3-11,20-21H,12-13H2,1-2H3,(H,24,29)(H,27,28)/t20-,21+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change preincubated for 10 mins fo...


Bioorg Med Chem Lett 23: 3349-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.093
BindingDB Entry DOI: 10.7270/Q2C24XSQ
More data for this
Ligand-Target Pair