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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 = 'BDBM50233533'   
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))
BDBM50233533
PNG
(CHEMBL4067518)
Show SMILES Cc1c(CC(O)=O)c2c(Cl)ccnc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H17ClN2O4S/c1-11-14(9-16(22)23)17-15(19)7-8-20-18(17)21(11)10-12-3-5-13(6-4-12)26(2,24)25/h3-8H,9-10H2,1-2H3,(H,22,23)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
356n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50233533
PNG
(CHEMBL4067518)
Show SMILES Cc1c(CC(O)=O)c2c(Cl)ccnc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H17ClN2O4S/c1-11-14(9-16(22)23)17-15(19)7-8-20-18(17)21(11)10-12-3-5-13(6-4-12)26(2,24)25/h3-8H,9-10H2,1-2H3,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at DP2 receptor in human isolated eosinophils assessed as inhibition of DK-PGD2-induced shape change preincubated for 5 mins foll...


ACS Med Chem Lett 8: 582-586 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00157
BindingDB Entry DOI: 10.7270/Q2TH8PXN
More data for this
Ligand-Target Pair