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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Prostanoid DP receptor' and Ligand = 'BDBM50161746'   
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


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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6.14E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to prostanoid DP1 receptor


Bioorg Med Chem Lett 21: 288-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.015
BindingDB Entry DOI: 10.7270/Q2959HTH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PGD-2 binding to human Prostaglandin D2 receptor


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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1.10E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to prostanoid DP1 receptor


Bioorg Med Chem Lett 21: 288-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.015
BindingDB Entry DOI: 10.7270/Q2959HTH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PGD-2 binding to human Prostaglandin D2 receptor


J Med Chem 48: 897-900 (2005)


Article DOI: 10.1021/jm049036i
BindingDB Entry DOI: 10.7270/Q24J0DMD
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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n/an/a 3.34E+4n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from prostaglandin D1 receptor in human platelet membrane


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair