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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 = 'BDBM50350351'   
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)
BDBM50350351
PNG
(CHEMBL1813121)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4ccccc34)c(Cl)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C28H25ClN2O5/c1-17-22(14-27(32)33)20-7-3-4-8-24(20)31(17)28(34)21-12-11-18(13-23(21)29)35-16-19-15-30(2)25-9-5-6-10-26(25)36-19/h3-13,19H,14-16H2,1-2H3,(H,32,33)/t19-/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.40n/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)
BDBM50350351
PNG
(CHEMBL1813121)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4ccccc34)c(Cl)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C28H25ClN2O5/c1-17-22(14-27(32)33)20-7-3-4-8-24(20)31(17)28(34)21-12-11-18(13-23(21)29)35-16-19-15-30(2)25-9-5-6-10-26(25)36-19/h3-13,19H,14-16H2,1-2H3,(H,32,33)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.20n/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