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Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50015959   
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))
BDBM50162903
PNG
(CHEMBL359855 | [6-(4-Fluoro-benzenesulfonylamino)-...)
Show SMILES CC1CCc2c(C1)c1cc(NS(=O)(=O)c3ccc(F)cc3)ccc1n2CC(O)=O
Show InChI InChI=1S/C21H21FN2O4S/c1-13-2-8-19-17(10-13)18-11-15(5-9-20(18)24(19)12-21(25)26)23-29(27,28)16-6-3-14(22)4-7-16/h3-7,9,11,13,23H,2,8,10,12H2,1H3,(H,25,26)
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13n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Thromboxane A2 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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18n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 in hTP binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162894
PNG
(CHEMBL361972 | [2-(4-Fluoro-benzenesulfonylamino)-...)
Show SMILES OC(=O)CN1C2CCCCCC2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C21H23FN2O4S/c22-14-6-9-16(10-7-14)29(27,28)23-15-8-11-20-18(12-15)17-4-2-1-3-5-19(17)24(20)13-21(25)26/h6-12,17,19,23H,1-5,13H2,(H,25,26)
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20n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162917
PNG
(CHEMBL360288 | [6-(4-Fluoro-benzenesulfonylamino)-...)
Show SMILES OC(=O)Cn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C20H19FN2O4S/c21-13-5-8-15(9-6-13)28(26,27)22-14-7-10-19-17(11-14)16-3-1-2-4-18(16)23(19)12-20(24)25/h5-11,22H,1-4,12H2,(H,24,25)
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30n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162891
PNG
(CHEMBL179980 | [6-(4-Fluoro-benzenesulfonylamino)-...)
Show SMILES OC(=O)Cn1c2CCC(Cc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12)c1ccccc1
Show InChI InChI=1S/C26H23FN2O4S/c27-19-7-10-21(11-8-19)34(32,33)28-20-9-13-25-23(15-20)22-14-18(17-4-2-1-3-5-17)6-12-24(22)29(25)16-26(30)31/h1-5,7-11,13,15,18,28H,6,12,14,16H2,(H,30,31)
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50n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162896
PNG
(CHEMBL369330 | [3-tert-Butyl-6-(4-fluoro-benzenesu...)
Show SMILES CC(C)(C)C1CCc2c(C1)c1cc(NS(=O)(=O)c3ccc(F)cc3)ccc1n2CC(O)=O
Show InChI InChI=1S/C24H27FN2O4S/c1-24(2,3)15-4-10-21-19(12-15)20-13-17(7-11-22(20)27(21)14-23(28)29)26-32(30,31)18-8-5-16(25)6-9-18/h5-9,11,13,15,26H,4,10,12,14H2,1-3H3,(H,28,29)
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150n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162901
PNG
(CHEMBL180733 | [5-(4-Fluoro-benzenesulfonylamino)-...)
Show SMILES OC(=O)Cn1c2CCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C19H17FN2O4S/c20-12-4-7-14(8-5-12)27(25,26)21-13-6-9-18-16(10-13)15-2-1-3-17(15)22(18)11-19(23)24/h4-10,21H,1-3,11H2,(H,23,24)
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200n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162897
PNG
(3-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
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/h5-10,13,23H,1-4,11-12H2,(H,25,26)
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250n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162897
PNG
(3-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
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/h5-10,13,23H,1-4,11-12H2,(H,25,26)
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250n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(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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290n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(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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290n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(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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340n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162925
PNG
(3-[6-(2-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccccc3F)ccc12
Show InChI InChI=1S/C21H21FN2O4S/c22-17-6-2-4-8-20(17)29(27,28)23-14-9-10-19-16(13-14)15-5-1-3-7-18(15)24(19)12-11-21(25)26/h2,4,6,8-10,13,23H,1,3,5,7,11-12H2,(H,25,26)
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970n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162902
PNG
(3-(6-Benzenesulfonylamino-1,2,3,4-tetrahydro-carba...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C21H22N2O4S/c24-21(25)12-13-23-19-9-5-4-8-17(19)18-14-15(10-11-20(18)23)22-28(26,27)16-6-2-1-3-7-16/h1-3,6-7,10-11,14,22H,4-5,8-9,12-13H2,(H,24,25)
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1.20E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162892
PNG
(3-[6-(3-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3cccc(F)c3)ccc12
Show InChI InChI=1S/C21H21FN2O4S/c22-14-4-3-5-16(12-14)29(27,28)23-15-8-9-20-18(13-15)17-6-1-2-7-19(17)24(20)11-10-21(25)26/h3-5,8-9,12-13,23H,1-2,6-7,10-11H2,(H,25,26)
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1.30E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50162897
PNG
(3-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
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/h5-10,13,23H,1-4,11-12H2,(H,25,26)
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1.50E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 in hTP binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162906
PNG
(3-[6-(3-Chloro-4-fluoro-benzenesulfonylamino)-1,2,...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc12
Show InChI InChI=1S/C21H20ClFN2O4S/c22-17-12-14(6-7-18(17)23)30(28,29)24-13-5-8-20-16(11-13)15-3-1-2-4-19(15)25(20)10-9-21(26)27/h5-8,11-12,24H,1-4,9-10H2,(H,26,27)
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1.70E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162918
PNG
(3-[6-(4-Methoxy-benzenesulfonylamino)-1,2,3,4-tetr...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc2n(CCC(O)=O)c3CCCCc3c2c1
Show InChI InChI=1S/C22H24N2O5S/c1-29-16-7-9-17(10-8-16)30(27,28)23-15-6-11-21-19(14-15)18-4-2-3-5-20(18)24(21)13-12-22(25)26/h6-11,14,23H,2-5,12-13H2,1H3,(H,25,26)
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2.10E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162898
PNG
(2-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES OS(=O)(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C20H21FN2O5S2/c21-14-5-8-16(9-6-14)30(27,28)22-15-7-10-20-18(13-15)17-3-1-2-4-19(17)23(20)11-12-29(24,25)26/h5-10,13,22H,1-4,11-12H2,(H,24,25,26)
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2.40E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162926
PNG
(3-[6-(4-Chloro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C21H21ClN2O4S/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/h5-10,13,23H,1-4,11-12H2,(H,25,26)
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3.00E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162899
PNG
(3-[6-(Toluene-4-sulfonylamino)-1,2,3,4-tetrahydro-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2n(CCC(O)=O)c3CCCCc3c2c1
Show InChI InChI=1S/C22H24N2O4S/c1-15-6-9-17(10-7-15)29(27,28)23-16-8-11-21-19(14-16)18-4-2-3-5-20(18)24(21)13-12-22(25)26/h6-11,14,23H,2-5,12-13H2,1H3,(H,25,26)
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3.20E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162924
PNG
(3-[6-(Biphenyl-4-sulfonylamino)-1,2,3,4-tetrahydro...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)ccc12
Show InChI InChI=1S/C27H26N2O4S/c30-27(31)16-17-29-25-9-5-4-8-23(25)24-18-21(12-15-26(24)29)28-34(32,33)22-13-10-20(11-14-22)19-6-2-1-3-7-19/h1-3,6-7,10-15,18,28H,4-5,8-9,16-17H2,(H,30,31)
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3.30E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162919
PNG
(3-[6-(2,4-Difluoro-benzenesulfonylamino)-1,2,3,4-t...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc12
Show InChI InChI=1S/C21H20F2N2O4S/c22-13-5-8-20(17(23)11-13)30(28,29)24-14-6-7-19-16(12-14)15-3-1-2-4-18(15)25(19)10-9-21(26)27/h5-8,11-12,24H,1-4,9-10H2,(H,26,27)
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3.60E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162911
PNG
(3-[6-(3,4-Difluoro-benzenesulfonylamino)-1,2,3,4-t...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)c(F)c3)ccc12
Show InChI InChI=1S/C21H20F2N2O4S/c22-17-7-6-14(12-18(17)23)30(28,29)24-13-5-8-20-16(11-13)15-3-1-2-4-19(15)25(20)10-9-21(26)27/h5-8,11-12,24H,1-4,9-10H2,(H,26,27)
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4.20E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162928
PNG
(3-[6-(Toluene-3-sulfonylamino)-1,2,3,4-tetrahydro-...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1ccc2n(CCC(O)=O)c3CCCCc3c2c1
Show InChI InChI=1S/C22H24N2O4S/c1-15-5-4-6-17(13-15)29(27,28)23-16-9-10-21-19(14-16)18-7-2-3-8-20(18)24(21)12-11-22(25)26/h4-6,9-10,13-14,23H,2-3,7-8,11-12H2,1H3,(H,25,26)
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4.20E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162929
PNG
(2-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES CC(C(O)=O)n1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C21H21FN2O4S/c1-13(21(25)26)24-19-5-3-2-4-17(19)18-12-15(8-11-20(18)24)23-29(27,28)16-9-6-14(22)7-10-16/h6-13,23H,2-5H2,1H3,(H,25,26)
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4.40E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162909
PNG
(5-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCCCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C23H25FN2O4S/c24-16-8-11-18(12-9-16)31(29,30)25-17-10-13-22-20(15-17)19-5-1-2-6-21(19)26(22)14-4-3-7-23(27)28/h8-13,15,25H,1-7,14H2,(H,27,28)
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4.60E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162900
PNG
(4-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES OC(=O)c1ccc(cc1)-n1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C25H21FN2O4S/c26-17-7-12-20(13-8-17)33(31,32)27-18-9-14-24-22(15-18)21-3-1-2-4-23(21)28(24)19-10-5-16(6-11-19)25(29)30/h5-15,27H,1-4H2,(H,29,30)
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6.40E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162923
PNG
(3-[6-(Naphthalene-2-sulfonylamino)-1,2,3,4-tetrahy...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C25H24N2O4S/c28-25(29)13-14-27-23-8-4-3-7-21(23)22-16-19(10-12-24(22)27)26-32(30,31)20-11-9-17-5-1-2-6-18(17)15-20/h1-2,5-6,9-12,15-16,26H,3-4,7-8,13-14H2,(H,28,29)
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7.40E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162893
PNG
(3-[6-(4-Hydroxy-benzenesulfonylamino)-1,2,3,4-tetr...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(O)cc3)ccc12
Show InChI InChI=1S/C21H22N2O5S/c24-15-6-8-16(9-7-15)29(27,28)22-14-5-10-20-18(13-14)17-3-1-2-4-19(17)23(20)12-11-21(25)26/h5-10,13,22,24H,1-4,11-12H2,(H,25,26)
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7.40E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162916
PNG
(3-[6-(4-Phenoxy-benzenesulfonylamino)-1,2,3,4-tetr...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)ccc12
Show InChI InChI=1S/C27H26N2O5S/c30-27(31)16-17-29-25-9-5-4-8-23(25)24-18-19(10-15-26(24)29)28-35(32,33)22-13-11-21(12-14-22)34-20-6-2-1-3-7-20/h1-3,6-7,10-15,18,28H,4-5,8-9,16-17H2,(H,30,31)
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7.50E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162905
PNG
(3-[6-(Thiophene-2-sulfonylamino)-1,2,3,4-tetrahydr...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3cccs3)ccc12
Show InChI InChI=1S/C19H20N2O4S2/c22-18(23)9-10-21-16-5-2-1-4-14(16)15-12-13(7-8-17(15)21)20-27(24,25)19-6-3-11-26-19/h3,6-8,11-12,20H,1-2,4-5,9-10H2,(H,22,23)
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7.60E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162913
PNG
(4-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C22H23FN2O4S/c23-15-7-10-17(11-8-15)30(28,29)24-16-9-12-21-19(14-16)18-4-1-2-5-20(18)25(21)13-3-6-22(26)27/h7-12,14,24H,1-6,13H2,(H,26,27)
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8.30E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162921
PNG
(3-(6-Benzylamino-1,2,3,4-tetrahydro-carbazol-9-yl)...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NCc3ccccc3)ccc12
Show InChI InChI=1S/C22H24N2O2/c25-22(26)12-13-24-20-9-5-4-8-18(20)19-14-17(10-11-21(19)24)23-15-16-6-2-1-3-7-16/h1-3,6-7,10-11,14,23H,4-5,8-9,12-13,15H2,(H,25,26)
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1.70E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162922
PNG
(2-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES CCC(C(O)=O)n1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C22H23FN2O4S/c1-2-19(22(26)27)25-20-6-4-3-5-17(20)18-13-15(9-12-21(18)25)24-30(28,29)16-10-7-14(23)8-11-16/h7-13,19,24H,2-6H2,1H3,(H,26,27)
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1.80E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162908
PNG
((Z)-3-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-t...)
Show SMILES OC(=O)\C=C/n1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C21H19FN2O4S/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/h5-13,23H,1-4H2,(H,25,26)/b12-11-
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1.90E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50162903
PNG
(CHEMBL359855 | [6-(4-Fluoro-benzenesulfonylamino)-...)
Show SMILES CC1CCc2c(C1)c1cc(NS(=O)(=O)c3ccc(F)cc3)ccc1n2CC(O)=O
Show InChI InChI=1S/C21H21FN2O4S/c1-13-2-8-19-17(10-13)18-11-15(5-9-20(18)24(19)12-21(25)26)23-29(27,28)16-6-3-14(22)4-7-16/h3-7,9,11,13,23H,2,8,10,12H2,1H3,(H,25,26)
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>2.00E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 in hTP binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50162917
PNG
(CHEMBL360288 | [6-(4-Fluoro-benzenesulfonylamino)-...)
Show SMILES OC(=O)Cn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C20H19FN2O4S/c21-13-5-8-15(9-6-13)28(26,27)22-14-7-10-19-17(11-14)16-3-1-2-4-18(16)23(19)12-20(24)25/h5-11,22H,1-4,12H2,(H,24,25)
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>2.00E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to hTP in hTP binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50162894
PNG
(CHEMBL361972 | [2-(4-Fluoro-benzenesulfonylamino)-...)
Show SMILES OC(=O)CN1C2CCCCCC2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C21H23FN2O4S/c22-14-6-9-16(10-7-14)29(27,28)23-15-8-11-20-18(12-15)17-4-2-1-3-5-19(17)24(20)13-21(25)26/h6-12,17,19,23H,1-5,13H2,(H,25,26)
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>2.00E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 in hTP binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50162891
PNG
(CHEMBL179980 | [6-(4-Fluoro-benzenesulfonylamino)-...)
Show SMILES OC(=O)Cn1c2CCC(Cc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12)c1ccccc1
Show InChI InChI=1S/C26H23FN2O4S/c27-19-7-10-21(11-8-19)34(32,33)28-20-9-13-25-23(15-20)22-14-18(17-4-2-1-3-5-17)6-12-24(22)29(25)16-26(30)31/h1-5,7-11,13,15,18,28H,6,12,14,16H2,(H,30,31)
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>2.00E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 in hTP binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162927
PNG
(3-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES OC(=O)c1cccc(c1)-n1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C25H21FN2O4S/c26-17-8-11-20(12-9-17)33(31,32)27-18-10-13-24-22(15-18)21-6-1-2-7-23(21)28(24)19-5-3-4-16(14-19)25(29)30/h3-5,8-15,27H,1-2,6-7H2,(H,29,30)
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2.70E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162895
PNG
(2-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES OC(=O)c1ccccc1-n1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12 |(.19,-1.35,;.24,-2.9,;-1.07,-3.71,;1.62,-3.64,;1.69,-5.19,;3.04,-5.93,;4.35,-5.09,;4.28,-3.55,;2.93,-2.83,;2.86,-1.28,;4.12,-.38,;5.61,-.71,;6.66,.44,;6.17,1.89,;4.68,2.22,;3.65,1.07,;2.11,1.07,;1.11,2.24,;-.41,1.94,;-1.42,3.11,;-2.93,2.8,;-3.24,4.32,;-2.63,1.3,;-4.45,2.5,;-5.46,3.67,;-6.97,3.36,;-7.46,1.91,;-9.01,1.61,;-6.46,.75,;-4.94,1.05,;-.9,.49,;.1,-.68,;1.62,-.37,)|
Show InChI InChI=1S/C25H21FN2O4S/c26-16-9-12-18(13-10-16)33(31,32)27-17-11-14-24-21(15-17)19-5-1-3-7-22(19)28(24)23-8-4-2-6-20(23)25(29)30/h2,4,6,8-15,27H,1,3,5,7H2,(H,29,30)
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3.30E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162912
PNG
(3-[6-(3-Phenyl-ureido)-1,2,3,4-tetrahydro-carbazol...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NC(=O)Nc3ccccc3)ccc12
Show InChI InChI=1S/C22H23N3O3/c26-21(27)12-13-25-19-9-5-4-8-17(19)18-14-16(10-11-20(18)25)24-22(28)23-15-6-2-1-3-7-15/h1-3,6-7,10-11,14H,4-5,8-9,12-13H2,(H,26,27)(H2,23,24,28)
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>5.00E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162907
PNG
(CHEMBL181611 | {2-[6-(4-Fluoro-benzenesulfonylamin...)
Show SMILES OP(O)(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C20H22FN2O5PS/c21-14-5-8-16(9-6-14)30(27,28)22-15-7-10-20-18(13-15)17-3-1-2-4-19(17)23(20)11-12-29(24,25)26/h5-10,13,22H,1-4,11-12H2,(H2,24,25,26)
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>5.00E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162890
PNG
(3-[6-(Propane-1-sulfonylamino)-1,2,3,4-tetrahydro-...)
Show SMILES CCCS(=O)(=O)Nc1ccc2n(CCC(O)=O)c3CCCCc3c2c1
Show InChI InChI=1S/C18H24N2O4S/c1-2-11-25(23,24)19-13-7-8-17-15(12-13)14-5-3-4-6-16(14)20(17)10-9-18(21)22/h7-8,12,19H,2-6,9-11H2,1H3,(H,21,22)
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>5.00E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162910
PNG
(3-(6-Amino-1,2,3,4-tetrahydro-carbazol-9-yl)-propi...)
Show SMILES Nc1ccc2n(CCC(O)=O)c3CCCCc3c2c1
Show InChI InChI=1S/C15H18N2O2/c16-10-5-6-14-12(9-10)11-3-1-2-4-13(11)17(14)8-7-15(18)19/h5-6,9H,1-4,7-8,16H2,(H,18,19)
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>5.00E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162915
PNG
(3-(6-Benzoylamino-1,2,3,4-tetrahydro-carbazol-9-yl...)
Show SMILES OC(=O)CCn1c2CCCCc2c2cc(NC(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C22H22N2O3/c25-21(26)12-13-24-19-9-5-4-8-17(19)18-14-16(10-11-20(18)24)23-22(27)15-6-2-1-3-7-15/h1-3,6-7,10-11,14H,4-5,8-9,12-13H2,(H,23,27)(H,25,26)
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>5.00E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162914
PNG
(3-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES CC(Cn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12)C(O)=O
Show InChI InChI=1S/C22H23FN2O4S/c1-14(22(26)27)13-25-20-5-3-2-4-18(20)19-12-16(8-11-21(19)25)24-30(28,29)17-9-6-15(23)7-10-17/h6-12,14,24H,2-5,13H2,1H3,(H,26,27)
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>5.00E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162920
PNG
(3-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetra...)
Show SMILES CC(CC(O)=O)n1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C22H23FN2O4S/c1-14(12-22(26)27)25-20-5-3-2-4-18(20)19-13-16(8-11-21(19)25)24-30(28,29)17-9-6-15(23)7-10-17/h6-11,13-14,24H,2-5,12H2,1H3,(H,26,27)
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>5.00E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM50162904
PNG
(3-[6-(Toluene-2-sulfonylamino)-1,2,3,4-tetrahydro-...)
Show SMILES Cc1ccccc1S(=O)(=O)Nc1ccc2n(CCC(O)=O)c3CCCCc3c2c1
Show InChI InChI=1S/C22H24N2O4S/c1-15-6-2-5-9-21(15)29(27,28)23-16-10-11-20-18(14-16)17-7-3-4-8-19(17)24(20)13-12-22(25)26/h2,5-6,9-11,14,23H,3-4,7-8,12-13H2,1H3,(H,25,26)
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>5.00E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes


Bioorg Med Chem Lett 15: 1749-53 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.055
BindingDB Entry DOI: 10.7270/Q20P0ZHT
More data for this
Ligand-Target Pair
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