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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor' and Ligand = 'BDBM50302832'   
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


(Homo sapiens (Human))
BDBM50302832
PNG
(2-(4-(4-(cyclopropylcarbamoyl)-2-(2,4-dichlorophen...)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc(cc1NS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C25H22Cl2N2O7S/c1-35-22-10-14(11-24(30)31)2-7-21(22)36-20-8-3-15(25(32)28-17-5-6-17)12-19(20)29-37(33,34)23-9-4-16(26)13-18(23)27/h2-4,7-10,12-13,17,29H,5-6,11H2,1H3,(H,28,32)(H,30,31)
UniProtKB/SwissProt

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Article
PubMed
n/an/a 41n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50302832
PNG
(2-(4-(4-(cyclopropylcarbamoyl)-2-(2,4-dichlorophen...)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc(cc1NS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C25H22Cl2N2O7S/c1-35-22-10-14(11-24(30)31)2-7-21(22)36-20-8-3-15(25(32)28-17-5-6-17)12-19(20)29-37(33,34)23-9-4-16(26)13-18(23)27/h2-4,7-10,12-13,17,29H,5-6,11H2,1H3,(H,28,32)(H,30,31)
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Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human DP receptor expressed in HEK 293 cells in presence of 0.5% BSA by scintillation counting


Bioorg Med Chem Lett 19: 6419-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.052
BindingDB Entry DOI: 10.7270/Q25Q4X20
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50302832
PNG
(2-(4-(4-(cyclopropylcarbamoyl)-2-(2,4-dichlorophen...)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc(cc1NS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C25H22Cl2N2O7S/c1-35-22-10-14(11-24(30)31)2-7-21(22)36-20-8-3-15(25(32)28-17-5-6-17)12-19(20)29-37(33,34)23-9-4-16(26)13-18(23)27/h2-4,7-10,12-13,17,29H,5-6,11H2,1H3,(H,28,32)(H,30,31)
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.03E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum...


ACS Med Chem Lett 2: 326-330 (2011)


Article DOI: 10.1021/ml1002234
BindingDB Entry DOI: 10.7270/Q28K79JH
More data for this
Ligand-Target Pair