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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor' and Ligand = 'BDBM50150966'   
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)
BDBM50150966
PNG
(CHEMBL182572 | [1-(4-Butoxy-benzoyl)-2-methyl-1H-i...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H23NO4/c1-3-4-13-27-17-11-9-16(10-12-17)22(26)23-15(2)19(14-21(24)25)18-7-5-6-8-20(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for mouse Prostanoid DP receptor


Bioorg Med Chem Lett 14: 4557-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.006
BindingDB Entry DOI: 10.7270/Q2N29XPR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50150966
PNG
(CHEMBL182572 | [1-(4-Butoxy-benzoyl)-2-methyl-1H-i...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H23NO4/c1-3-4-13-27-17-11-9-16(10-12-17)22(26)23-15(2)19(14-21(24)25)18-7-5-6-8-20(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for mouse Prostanoid DP receptor


Bioorg Med Chem Lett 14: 4557-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.006
BindingDB Entry DOI: 10.7270/Q2N29XPR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50150966
PNG
(CHEMBL182572 | [1-(4-Butoxy-benzoyl)-2-methyl-1H-i...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H23NO4/c1-3-4-13-27-17-11-9-16(10-12-17)22(26)23-15(2)19(14-21(24)25)18-7-5-6-8-20(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse Prostanoid DP receptor


Bioorg Med Chem Lett 14: 4557-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.006
BindingDB Entry DOI: 10.7270/Q2N29XPR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Mus musculus)
BDBM50150966
PNG
(CHEMBL182572 | [1-(4-Butoxy-benzoyl)-2-methyl-1H-i...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H23NO4/c1-3-4-13-27-17-11-9-16(10-12-17)22(26)23-15(2)19(14-21(24)25)18-7-5-6-8-20(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse Prostanoid DP receptor


Bioorg Med Chem Lett 14: 4557-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.006
BindingDB Entry DOI: 10.7270/Q2N29XPR
More data for this
Ligand-Target Pair