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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 = 'BDBM50350366'   
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)
BDBM50350366
PNG
(CHEMBL1813287)
Show SMILES CCN1[C@@H](COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4ccccc34)c(C)c2)Cc2ccccc12 |r|
Show InChI InChI=1S/C30H30N2O4/c1-4-31-22(16-21-9-5-7-11-27(21)31)18-36-23-13-14-24(19(2)15-23)30(35)32-20(3)26(17-29(33)34)25-10-6-8-12-28(25)32/h5-15,22H,4,16-18H2,1-3H3,(H,33,34)/t22-/m1/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
4.80n/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)
BDBM50350366
PNG
(CHEMBL1813287)
Show SMILES CCN1[C@@H](COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4ccccc34)c(C)c2)Cc2ccccc12 |r|
Show InChI InChI=1S/C30H30N2O4/c1-4-31-22(16-21-9-5-7-11-27(21)31)18-36-23-13-14-24(19(2)15-23)30(35)32-20(3)26(17-29(33)34)25-10-6-8-12-28(25)32/h5-15,22H,4,16-18H2,1-3H3,(H,33,34)/t22-/m1/s1
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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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