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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 = 'BDBM50444226'   
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))
BDBM50444226
PNG
(CHEMBL3093604)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)c2ccccc12 |TLB:21:22:26:20.25.19,THB:23:22:25.24.26:19|
Show InChI InChI=1S/C30H30N2O4/c33-26(16-30-13-18-9-19(14-30)11-20(10-18)15-30)32-23-7-5-21(6-8-23)29(36)28-25-4-2-1-3-24(25)22(17-31-28)12-27(34)35/h1-8,17-20H,9-16H2,(H,32,33)(H,34,35)
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PC cid
PC sid
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Article
PubMed
n/an/a 21n/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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50444226
PNG
(CHEMBL3093604)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)c2ccccc12 |TLB:21:22:26:20.25.19,THB:23:22:25.24.26:19|
Show InChI InChI=1S/C30H30N2O4/c33-26(16-30-13-18-9-19(14-30)11-20(10-18)15-30)32-23-7-5-21(6-8-23)29(36)28-25-4-2-1-3-24(25)22(17-31-28)12-27(34)35/h1-8,17-20H,9-16H2,(H,32,33)(H,34,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 97n/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