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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 = 'BDBM50444237'   
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))
BDBM50444237
PNG
(CHEMBL3093599)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(cc3)-c3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C31H22N2O4/c34-28(35)18-24-19-32-29(27-9-5-4-8-26(24)27)30(36)22-14-16-25(17-15-22)33-31(37)23-12-10-21(11-13-23)20-6-2-1-3-7-20/h1-17,19H,18H2,(H,33,37)(H,34,35)
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PC cid
PC sid
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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 transfected in human KB8 cells assessed as inhibition of PGD2-induced increase in intracellular Ca2+ by fluo-4AM d...


Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50444237
PNG
(CHEMBL3093599)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(cc3)-c3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C31H22N2O4/c34-28(35)18-24-19-32-29(27-9-5-4-8-26(24)27)30(36)22-14-16-25(17-15-22)33-31(37)23-12-10-21(11-13-23)20-6-2-1-3-7-20/h1-17,19H,18H2,(H,33,37)(H,34,35)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis


Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair