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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 = 'BDBM50350353'   
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)
BDBM50350353
PNG
(CHEMBL1813276)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4cc(F)ccc34)c(Cl)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C28H24ClFN2O5/c1-16-21(13-27(33)34)22-11-17(30)7-10-24(22)32(16)28(35)20-9-8-18(12-23(20)29)36-15-19-14-31(2)25-5-3-4-6-26(25)37-19/h3-12,19H,13-15H2,1-2H3,(H,33,34)/t19-/m0/s1
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PC sid
UniChem

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Similars

Article
PubMed
5.20n/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)
BDBM50350353
PNG
(CHEMBL1813276)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4cc(F)ccc34)c(Cl)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C28H24ClFN2O5/c1-16-21(13-27(33)34)22-11-17(30)7-10-24(22)32(16)28(35)20-9-8-18(12-23(20)29)36-15-19-14-31(2)25-5-3-4-6-26(25)37-19/h3-12,19H,13-15H2,1-2H3,(H,33,34)/t19-/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 1.60n/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