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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Prostanoid DP receptor' and Ligand = 'BDBM50351481'   
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
Prostanoid DP receptor


(Mus musculus)
BDBM50351481
PNG
(CHEMBL1819611)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3C)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C27H28N2O5/c1-17-8-9-19(14-26(30)31)13-23(17)28-27(32)22-11-10-20(12-18(22)2)33-16-21-15-29(3)24-6-4-5-7-25(24)34-21/h4-13,21H,14-16H2,1-3H3,(H,28,32)(H,30,31)/t21-/m0/s1
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31n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

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: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Mus musculus)
BDBM50351481
PNG
(CHEMBL1819611)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3C)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C27H28N2O5/c1-17-8-9-19(14-26(30)31)13-23(17)28-27(32)22-11-10-20(12-18(22)2)33-16-21-15-29(3)24-6-4-5-7-25(24)34-21/h4-13,21H,14-16H2,1-3H3,(H,28,32)(H,30,31)/t21-/m0/s1
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31n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from mouse prostanoid DP receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 19: 5361-71 (2011)


Article DOI: 10.1016/j.bmc.2011.08.007
BindingDB Entry DOI: 10.7270/Q2X067DJ
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Mus musculus)
BDBM50351481
PNG
(CHEMBL1819611)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3C)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C27H28N2O5/c1-17-8-9-19(14-26(30)31)13-23(17)28-27(32)22-11-10-20(12-18(22)2)33-16-21-15-29(3)24-6-4-5-7-25(24)34-21/h4-13,21H,14-16H2,1-3H3,(H,28,32)(H,30,31)/t21-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid DP receptor expressed in CHO cells assessed as inhibition of PGD2-induced intracellular cAMP production after...


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Mus musculus)
BDBM50351481
PNG
(CHEMBL1819611)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3C)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C27H28N2O5/c1-17-8-9-19(14-26(30)31)13-23(17)28-27(32)22-11-10-20(12-18(22)2)33-16-21-15-29(3)24-6-4-5-7-25(24)34-21/h4-13,21H,14-16H2,1-3H3,(H,28,32)(H,30,31)/t21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
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n/an/a 4.60n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse prostanoid DP receptor expressed in CHO cells assessed as inhibition of PGD2-induced intracellular cAMP production


Bioorg Med Chem 19: 5361-71 (2011)


Article DOI: 10.1016/j.bmc.2011.08.007
BindingDB Entry DOI: 10.7270/Q2X067DJ
More data for this
Ligand-Target Pair