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Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'hayashida' and Initial = 'h'   
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 2


(Homo sapiens (Human))
BDBM50362167
PNG
(CHEMBL1941129)
Show SMILES COc1ccc(cc1)C(=O)N(CCCc1cccc(OCC(O)=O)c1)CCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H35NO5/c1-39-30-19-17-29(18-20-30)34(38)35(22-9-11-26-10-8-16-31(24-26)40-25-33(36)37)23-21-32(27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-8,10,12-20,24,32H,9,11,21-23,25H2,1H3,(H,36,37)
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n/an/a 5.5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50362160
PNG
(CHEMBL1941121)
Show SMILES COc1ccc(cc1)C(c1ccc(OC)cc1)c1ccc(=O)n(CCCc2cccc(OCC(O)=O)c2)c1
Show InChI InChI=1S/C31H31NO6/c1-36-26-13-8-23(9-14-26)31(24-10-15-27(37-2)16-11-24)25-12-17-29(33)32(20-25)18-4-6-22-5-3-7-28(19-22)38-21-30(34)35/h3,5,7-17,19-20,31H,4,6,18,21H2,1-2H3,(H,34,35)
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n/an/a 5.80n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50362159
PNG
(CHEMBL1941120)
Show SMILES Cc1ccc(cc1)C(c1ccc(C)cc1)c1ccc(=O)n(CCCc2cccc(OCC(O)=O)c2)c1
Show InChI InChI=1S/C31H31NO4/c1-22-8-12-25(13-9-22)31(26-14-10-23(2)11-15-26)27-16-17-29(33)32(20-27)18-4-6-24-5-3-7-28(19-24)36-21-30(34)35/h3,5,7-17,19-20,31H,4,6,18,21H2,1-2H3,(H,34,35)
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n/an/a 6.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50362158
PNG
(CHEMBL1941119)
Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C29H25Cl2NO4/c30-24-11-6-21(7-12-24)29(22-8-13-25(31)14-9-22)23-10-15-27(33)32(18-23)16-2-4-20-3-1-5-26(17-20)36-19-28(34)35/h1,3,5-15,17-18,29H,2,4,16,19H2,(H,34,35)
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n/an/a 9.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50362166
PNG
(CHEMBL1941128)
Show SMILES OC(=O)COc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C33H33NO4/c35-32(36)25-38-30-20-10-12-26(24-30)13-11-22-34(33(37)29-18-8-3-9-19-29)23-21-31(27-14-4-1-5-15-27)28-16-6-2-7-17-28/h1-10,12,14-20,24,31H,11,13,21-23,25H2,(H,35,36)
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n/an/a 9.70n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50362164
PNG
(CHEMBL1941126)
Show SMILES OC(=O)CCCOc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C31H31NO4/c33-29-19-18-27(31(25-12-3-1-4-13-25)26-14-5-2-6-15-26)23-32(29)20-8-11-24-10-7-16-28(22-24)36-21-9-17-30(34)35/h1-7,10,12-16,18-19,22-23,31H,8-9,11,17,20-21H2,(H,34,35)
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n/an/a 11n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50362157
PNG
(CHEMBL1941118)
Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C29H25F2NO4/c30-24-11-6-21(7-12-24)29(22-8-13-25(31)14-9-22)23-10-15-27(33)32(18-23)16-2-4-20-3-1-5-26(17-20)36-19-28(34)35/h1,3,5-15,17-18,29H,2,4,16,19H2,(H,34,35)
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n/an/a 11n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615151
PNG
(CHEMBL5276087)
PDB
MMDB

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More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50362165
PNG
(CHEMBL1941127)
Show SMILES OC(=O)CCCOc1cccc(CCCn2nc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C30H30N2O4/c33-28-19-18-27(30(24-12-3-1-4-13-24)25-14-5-2-6-15-25)31-32(28)20-8-11-23-10-7-16-26(22-23)36-21-9-17-29(34)35/h1-7,10,12-16,18-19,22,30H,8-9,11,17,20-21H2,(H,34,35)
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n/an/a 13n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615153
PNG
(CHEMBL5271317)
PDB
MMDB

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n/an/a 14n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615141
PNG
(CHEMBL5283224)
PDB
MMDB

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n/an/a 16n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615139
PNG
(CHEMBL5275145)
PDB
MMDB

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n/an/a 16n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615149
PNG
(CHEMBL5283174)
PDB
MMDB

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n/an/a 17n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50362162
PNG
(CHEMBL1941123)
Show SMILES CC(Oc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C30H29NO4/c1-22(30(33)34)35-27-16-8-10-23(20-27)11-9-19-31-21-26(17-18-28(31)32)29(24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-8,10,12-18,20-22,29H,9,11,19H2,1H3,(H,33,34)
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n/an/a 17n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Cavia porcellus)
BDBM50362167
PNG
(CHEMBL1941129)
Show SMILES COc1ccc(cc1)C(=O)N(CCCc1cccc(OCC(O)=O)c1)CCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H35NO5/c1-39-30-19-17-29(18-20-30)34(38)35(22-9-11-26-10-8-16-31(24-26)40-25-33(36)37)23-21-32(27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-8,10,12-20,24,32H,9,11,21-23,25H2,1H3,(H,36,37)
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n/an/a 17n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50362156
PNG
(CHEMBL1941117)
Show SMILES OC(=O)COc1cccc(CCCn2nc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H26N2O4/c31-26-17-16-25(28(22-11-3-1-4-12-22)23-13-5-2-6-14-23)29-30(26)18-8-10-21-9-7-15-24(19-21)34-20-27(32)33/h1-7,9,11-17,19,28H,8,10,18,20H2,(H,32,33)
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n/an/a 18n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Cavia porcellus)
BDBM50362166
PNG
(CHEMBL1941128)
Show SMILES OC(=O)COc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C33H33NO4/c35-32(36)25-38-30-20-10-12-26(24-30)13-11-22-34(33(37)29-18-8-3-9-19-29)23-21-31(27-14-4-1-5-15-27)28-16-6-2-7-17-28/h1-10,12,14-20,24,31H,11,13,21-23,25H2,(H,35,36)
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n/an/a 18n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615148
PNG
(CHEMBL5278799)
PDB
MMDB

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n/an/a 18n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615144
PNG
(CHEMBL5277206)
PDB
MMDB

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n/an/a 18n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50040874
PNG
(CHEMBL3353187)
Show SMILES Cl.Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1
Show InChI InChI=1S/C19H20N6O4/c1-11-8-12(2-5-21-11)19-23-15(10-29-19)18(27)22-14-9-25(24-16(14)17(20)26)13-3-6-28-7-4-13/h2,5,8-10,13H,3-4,6-7H2,1H3,(H2,20,26)(H,22,27)
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n/an/a 20n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615138
PNG
(CHEMBL5278052)
PDB
MMDB

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n/an/a 20n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615152
PNG
(CHEMBL5282374)
PDB
MMDB

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n/an/a 24n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615142
PNG
(CHEMBL5280941)
PDB
MMDB

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Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615157
PNG
(CHEMBL5276741)
PDB
MMDB

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n/an/a 26n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615145
PNG
(CHEMBL5284584)
PDB
MMDB

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n/an/a 30n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615158
PNG
(CHEMBL5286860)
PDB
MMDB

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n/an/a 32n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615146
PNG
(CHEMBL5287520)
PDB
MMDB

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n/an/a 34n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50362155
PNG
(CHEMBL1941116)
Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C29H27NO4/c31-27-17-16-25(29(23-11-3-1-4-12-23)24-13-5-2-6-14-24)20-30(27)18-8-10-22-9-7-15-26(19-22)34-21-28(32)33/h1-7,9,11-17,19-20,29H,8,10,18,21H2,(H,32,33)
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n/an/a 42n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615143
PNG
(CHEMBL5274350)
PDB
MMDB

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n/an/a 48n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615155
PNG
(CHEMBL5290771)
PDB
MMDB

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n/an/a 52n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Cavia porcellus)
BDBM50362165
PNG
(CHEMBL1941127)
Show SMILES OC(=O)CCCOc1cccc(CCCn2nc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C30H30N2O4/c33-28-19-18-27(30(24-12-3-1-4-13-24)25-14-5-2-6-15-25)31-32(28)20-8-11-23-10-7-16-26(22-23)36-21-9-17-29(34)35/h1-7,10,12-16,18-19,22,30H,8-9,11,17,20-21H2,(H,34,35)
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n/an/a 52n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615154
PNG
(CHEMBL5275179)
PDB
MMDB

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n/an/a 67n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615150
PNG
(CHEMBL5288843)
PDB
MMDB

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n/an/a 80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615156
PNG
(CHEMBL5268077)
PDB
MMDB

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n/an/a 82n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50362161
PNG
(CHEMBL1941122)
Show SMILES OC(=O)COc1cccc(OCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H25NO5/c30-26-15-14-23(28(21-8-3-1-4-9-21)22-10-5-2-6-11-22)19-29(26)16-17-33-24-12-7-13-25(18-24)34-20-27(31)32/h1-15,18-19,28H,16-17,20H2,(H,31,32)
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n/an/a 99n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Cavia porcellus)
BDBM50362164
PNG
(CHEMBL1941126)
Show SMILES OC(=O)CCCOc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C31H31NO4/c33-29-19-18-27(31(25-12-3-1-4-13-25)26-14-5-2-6-15-26)23-32(29)20-8-11-24-10-7-16-28(22-24)36-21-9-17-30(34)35/h1-7,10,12-16,18-19,22-23,31H,8-9,11,17,20-21H2,(H,34,35)
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n/an/a 99n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615140
PNG
(CHEMBL5267973)
PDB
MMDB

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n/an/a 120n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Cavia porcellus)
BDBM50362162
PNG
(CHEMBL1941123)
Show SMILES CC(Oc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C30H29NO4/c1-22(30(33)34)35-27-16-8-10-23(20-27)11-9-19-31-21-26(17-18-28(31)32)29(24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-8,10,12-18,20-22,29H,9,11,19H2,1H3,(H,33,34)
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n/an/a 128n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Cavia porcellus)
BDBM50362156
PNG
(CHEMBL1941117)
Show SMILES OC(=O)COc1cccc(CCCn2nc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H26N2O4/c31-26-17-16-25(28(22-11-3-1-4-12-22)23-13-5-2-6-14-23)29-30(26)18-8-10-21-9-7-15-24(19-21)34-20-27(32)33/h1-7,9,11-17,19,28H,8,10,18,20H2,(H,32,33)
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n/an/a 147n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50615147
PNG
(CHEMBL5286338)
PDB
MMDB

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n/an/a 150n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Cavia porcellus)
BDBM50362160
PNG
(CHEMBL1941121)
Show SMILES COc1ccc(cc1)C(c1ccc(OC)cc1)c1ccc(=O)n(CCCc2cccc(OCC(O)=O)c2)c1
Show InChI InChI=1S/C31H31NO6/c1-36-26-13-8-23(9-14-26)31(24-10-15-27(37-2)16-11-24)25-12-17-29(33)32(20-25)18-4-6-22-5-3-7-28(19-22)38-21-30(34)35/h3,5,7-17,19-20,31H,4,6,18,21H2,1-2H3,(H,34,35)
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n/an/a 211n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Cavia porcellus)
BDBM50362155
PNG
(CHEMBL1941116)
Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C29H27NO4/c31-27-17-16-25(29(23-11-3-1-4-12-23)24-13-5-2-6-14-24)20-30(27)18-8-10-22-9-7-15-26(19-22)34-21-28(32)33/h1-7,9,11-17,19-20,29H,8,10,18,21H2,(H,32,33)
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n/an/a 256n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Cavia porcellus)
BDBM50362157
PNG
(CHEMBL1941118)
Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C29H25F2NO4/c30-24-11-6-21(7-12-24)29(22-8-13-25(31)14-9-22)23-10-15-27(33)32(18-23)16-2-4-20-3-1-5-26(17-20)36-19-28(34)35/h1,3,5-15,17-18,29H,2,4,16,19H2,(H,34,35)
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n/an/a 359n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50362163
PNG
(CHEMBL1941124)
Show SMILES CCC(Oc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C31H31NO4/c1-2-28(31(34)35)36-27-17-9-11-23(21-27)12-10-20-32-22-26(18-19-29(32)33)30(24-13-5-3-6-14-24)25-15-7-4-8-16-25/h3-9,11,13-19,21-22,28,30H,2,10,12,20H2,1H3,(H,34,35)
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n/an/a 502n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Cavia porcellus)
BDBM50362159
PNG
(CHEMBL1941120)
Show SMILES Cc1ccc(cc1)C(c1ccc(C)cc1)c1ccc(=O)n(CCCc2cccc(OCC(O)=O)c2)c1
Show InChI InChI=1S/C31H31NO4/c1-22-8-12-25(13-9-22)31(26-14-10-23(2)11-15-26)27-16-17-29(33)32(20-27)18-4-6-24-5-3-7-28(19-24)36-21-30(34)35/h3,5,7-17,19-20,31H,4,6,18,21H2,1-2H3,(H,34,35)
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n/an/a 772n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Cavia porcellus)
BDBM50362161
PNG
(CHEMBL1941122)
Show SMILES OC(=O)COc1cccc(OCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H25NO5/c30-26-15-14-23(28(21-8-3-1-4-9-21)22-10-5-2-6-11-22)19-29(26)16-17-33-24-12-7-13-25(18-24)34-20-27(31)32/h1-15,18-19,28H,16-17,20H2,(H,31,32)
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n/an/a 797n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50040874
PNG
(CHEMBL3353187)
Show SMILES Cl.Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1
Show InChI InChI=1S/C19H20N6O4/c1-11-8-12(2-5-21-11)19-23-15(10-29-19)18(27)22-14-9-25(24-16(14)17(20)26)13-3-6-28-7-4-13/h2,5,8-10,13H,3-4,6-7H2,1H3,(H2,20,26)(H,22,27)
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n/an/a 800n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Cavia porcellus)
BDBM50362163
PNG
(CHEMBL1941124)
Show SMILES CCC(Oc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C31H31NO4/c1-2-28(31(34)35)36-27-17-9-11-23(21-27)12-10-20-32-22-26(18-19-29(32)33)30(24-13-5-3-6-14-24)25-15-7-4-8-16-25/h3-9,11,13-19,21-22,28,30H,2,10,12,20H2,1H3,(H,34,35)
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n/an/a 990n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Cavia porcellus)
BDBM50362168
PNG
(CHEMBL1941125)
Show SMILES CC(C)(Oc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C31H31NO4/c1-31(2,30(34)35)36-27-17-9-11-23(21-27)12-10-20-32-22-26(18-19-28(32)33)29(24-13-5-3-6-14-24)25-15-7-4-8-16-25/h3-9,11,13-19,21-22,29H,10,12,20H2,1-2H3,(H,34,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50362155
PNG
(CHEMBL1941116)
Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C29H27NO4/c31-27-17-16-25(29(23-11-3-1-4-12-23)24-13-5-2-6-14-24)20-30(27)18-8-10-22-9-7-15-26(19-22)34-21-28(32)33/h1-7,9,11-17,19-20,29H,8,10,18,21H2,(H,32,33)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
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