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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor' and Ligand = 'BDBM50350367'   
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


(Mus musculus)
BDBM50350367
PNG
(CHEMBL1813116)
Show SMILES CN1C[C@@H](COc2ccc(cc2)C(=O)n2c(C)c(CC(O)=O)c3cc(C)ccc23)Oc2ccccc12 |r|
Show InChI InChI=1S/C29H28N2O5/c1-18-8-13-25-24(14-18)23(15-28(32)33)19(2)31(25)29(34)20-9-11-21(12-10-20)35-17-22-16-30(3)26-6-4-5-7-27(26)36-22/h4-14,22H,15-17H2,1-3H3,(H,32,33)/t22-/m0/s1
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PC cid
PC sid
UniChem

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Similars

Article
PubMed
28n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 19: 4574-88 (2011)


Article DOI: 10.1016/j.bmc.2011.06.014
BindingDB Entry DOI: 10.7270/Q2FB5398
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50350367
PNG
(CHEMBL1813116)
Show SMILES CN1C[C@@H](COc2ccc(cc2)C(=O)n2c(C)c(CC(O)=O)c3cc(C)ccc23)Oc2ccccc12 |r|
Show InChI InChI=1S/C29H28N2O5/c1-18-8-13-25-24(14-18)23(15-28(32)33)19(2)31(25)29(34)20-9-11-21(12-10-20)35-17-22-16-30(3)26-6-4-5-7-27(26)36-22/h4-14,22H,15-17H2,1-3H3,(H,32,33)/t22-/m0/s1
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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse DP receptor expressed in CHO cells assessed as inhibition of PGD2-induced cAMP accumulation after 10 mins by enzyme immu...


Bioorg Med Chem 19: 4574-88 (2011)


Article DOI: 10.1016/j.bmc.2011.06.014
BindingDB Entry DOI: 10.7270/Q2FB5398
More data for this
Ligand-Target Pair