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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50339755   
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))
BDBM50339755
PNG
((S)-2-(4-chloro-2-((3-methyl-4-(2-phenylacetyl)pip...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H25ClN2O4/c1-16-13-24(9-10-25(16)21(26)11-17-5-3-2-4-6-17)14-18-12-19(23)7-8-20(18)29-15-22(27)28/h2-8,12,16H,9-11,13-15H2,1H3,(H,27,28)/t16-/m0/s1
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Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50339755
PNG
((S)-2-(4-chloro-2-((3-methyl-4-(2-phenylacetyl)pip...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H25ClN2O4/c1-16-13-24(9-10-25(16)21(26)11-17-5-3-2-4-6-17)14-18-12-19(23)7-8-20(18)29-15-22(27)28/h2-8,12,16H,9-11,13-15H2,1H3,(H,27,28)/t16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair