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Compile Data Set for Download or QSAR

Found 267 hits from Athersys, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50188136
PNG
((3aS,8R,8aS)-6,7-dichloro-8-methyl-1,2,3,3a,8,8a-h...)
Show SMILES C[C@@H]1[C@@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c12
Show InChI InChI=1S/C12H13Cl2N/c1-6-8-4-15-5-9(8)7-2-3-10(13)12(14)11(6)7/h2-3,6,8-9,15H,4-5H2,1H3/t6-,8+,9-/m1/s1
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5n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319488
PNG
(CHEMBL1084901 | rac-{5-Chloro-3-[2-(3,5-dimethyl-i...)
Show SMILES Cc1noc(C)c1CN1C(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccc(Cl)cc12
Show InChI InChI=1S/C24H22ClN3O5S/c1-13-19(15(3)33-26-13)11-28-24(17-6-4-5-7-21(17)34(28,31)32)23-14(2)27(12-22(29)30)20-9-8-16(25)10-18(20)23/h4-10,24H,11-12H2,1-3H3,(H,29,30)
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8n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319486
PNG
(CHEMBL1084893 | rac-{3-[2-(3,5-Dimethyl-isoxazol-4...)
Show SMILES Cc1noc(C)c1CN1C(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C24H23N3O5S/c1-14-19(16(3)32-25-14)12-27-24(18-9-5-7-11-21(18)33(27,30)31)23-15(2)26(13-22(28)29)20-10-6-4-8-17(20)23/h4-11,24H,12-13H2,1-3H3,(H,28,29)
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12n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319487
PNG
(CHEMBL1084894 | rac-{2-Methyl-3-[2-(3-methyl-5-phe...)
Show SMILES Cc1noc(c1CN1C(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C29H25N3O5S/c1-18-23(29(37-30-18)20-10-4-3-5-11-20)16-32-28(22-13-7-9-15-25(22)38(32,35)36)27-19(2)31(17-26(33)34)24-14-8-6-12-21(24)27/h3-15,28H,16-17H2,1-2H3,(H,33,34)
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13n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50188139
PNG
((3aS,8R,8aS)-6-chloro-5-methoxy-8-methyl-1,2,3,3a,...)
Show SMILES COc1cc2[C@H]3CNC[C@H]3[C@@H](C)c2cc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-7-8-3-12(14)13(16-2)4-9(8)11-6-15-5-10(7)11/h3-4,7,10-11,15H,5-6H2,1-2H3/t7-,10-,11+/m0/s1
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14n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319482
PNG
(CHEMBL1082939 | rac-{3-[2-(3,5-Dimethyl-isoxazol-4...)
Show SMILES Cc1noc(C)c1CN1C(c2ccccc2S1(=O)=O)c1cn(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C23H21N3O5S/c1-14-18(15(2)31-24-14)12-26-23(17-8-4-6-10-21(17)32(26,29)30)19-11-25(13-22(27)28)20-9-5-3-7-16(19)20/h3-11,23H,12-13H2,1-2H3,(H,27,28)
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18n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
Prostanoid TP 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
G protein-coupled receptor 44


(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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319495
PNG
(CHEMBL1082610 | rac-{3-[2-(3,5-Dimethyl-isoxazol-4...)
Show SMILES Cc1noc(C)c1CN1C(CCS1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C20H23N3O5S/c1-12-16(14(3)28-21-12)10-23-18(8-9-29(23,26)27)20-13(2)22(11-19(24)25)17-7-5-4-6-15(17)20/h4-7,18H,8-11H2,1-3H3,(H,24,25)
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23n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50188140
PNG
((3aS,8R,8aS)-6-chloro-8-methyl-1,2,3,3a,8,8a-hexah...)
Show SMILES C[C@@H]1[C@@H]2CNC[C@@H]2c2cc(O)c(Cl)cc12
Show InChI InChI=1S/C12H14ClNO/c1-6-7-2-11(13)12(15)3-8(7)10-5-14-4-9(6)10/h2-3,6,9-10,14-15H,4-5H2,1H3/t6-,9-,10+/m0/s1
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27n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50188144
PNG
((3aS,8R,8aS)-6-bromo-5-methoxy-8-methyl-1,2,3,3a,8...)
Show SMILES COc1cc2[C@H]3CNC[C@H]3[C@@H](C)c2cc1Br
Show InChI InChI=1S/C13H16BrNO/c1-7-8-3-12(14)13(16-2)4-9(8)11-6-15-5-10(7)11/h3-4,7,10-11,15H,5-6H2,1-2H3/t7-,10-,11+/m0/s1
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27n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319486
PNG
(CHEMBL1084893 | rac-{3-[2-(3,5-Dimethyl-isoxazol-4...)
Show SMILES Cc1noc(C)c1CN1C(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C24H23N3O5S/c1-14-19(16(3)32-25-14)12-27-24(18-9-5-7-11-21(18)33(27,30)31)23-15(2)26(13-22(28)29)20-10-6-4-8-17(20)23/h4-11,24H,12-13H2,1-3H3,(H,28,29)
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28n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human prostaglandin D2 receptor assessed as inhibition of PGD2-induced receptor activation by cell based FLIPR assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319490
PNG
(CHEMBL1084903 | rac-{3-[1,1-Dioxo-2-(2-phenoxy-eth...)
Show SMILES Cc1c(C2N(CCOc3ccccc3)S(=O)(=O)c3ccccc23)c2ccccc2n1CC(O)=O
Show InChI InChI=1S/C26H24N2O5S/c1-18-25(20-11-5-7-13-22(20)27(18)17-24(29)30)26-21-12-6-8-14-23(21)34(31,32)28(26)15-16-33-19-9-3-2-4-10-19/h2-14,26H,15-17H2,1H3,(H,29,30)
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29n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319491
PNG
(CHEMBL1083446 | rac-(3-{2-[2-(4-Chloro-phenoxy)-et...)
Show SMILES Cc1c(C2N(CCOc3ccc(Cl)cc3)S(=O)(=O)c3ccccc23)c2ccccc2n1CC(O)=O
Show InChI InChI=1S/C26H23ClN2O5S/c1-17-25(20-6-2-4-8-22(20)28(17)16-24(30)31)26-21-7-3-5-9-23(21)35(32,33)29(26)14-15-34-19-12-10-18(27)11-13-19/h2-13,26H,14-16H2,1H3,(H,30,31)
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35n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319494
PNG
(CHEMBL1085069 | rac-{3-[2-(3,5-Dimethyl-isoxazol-4...)
Show SMILES Cc1noc(C)c1CN1C(C)(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C25H25N3O5S/c1-15-19(17(3)33-26-15)13-28-25(4,20-10-6-8-12-22(20)34(28,31)32)24-16(2)27(14-23(29)30)21-11-7-5-9-18(21)24/h5-12H,13-14H2,1-4H3,(H,29,30)
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38n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(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
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50188143
PNG
((+/-)-(3aS,8aS)-5,6-dichloro-8-methyl-1,2,3,3a,8,8...)
Show SMILES CC1[C@@H]2CNC[C@@H]2c2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C12H13Cl2N/c1-6-7-2-11(13)12(14)3-8(7)10-5-15-4-9(6)10/h2-3,6,9-10,15H,4-5H2,1H3/t6?,9-,10+/m0/s1
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103n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50188134
PNG
((+/-)-(3aS,8aS)-6-chloro-5,8-dimethyl-1,2,3,3a,8,8...)
Show SMILES CC1[C@@H]2CNC[C@@H]2c2cc(C)c(Cl)cc12
Show InChI InChI=1S/C13H16ClN/c1-7-3-10-9(4-13(7)14)8(2)11-5-15-6-12(10)11/h3-4,8,11-12,15H,5-6H2,1-2H3/t8?,11-,12+/m0/s1
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107n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50188127
PNG
((3aS,8R,8aS)-5-chloro-6,8-dimethyl-1,2,3,3a,8,8a-h...)
Show SMILES C[C@@H]1[C@@H]2CNC[C@@H]2c2cc(Cl)c(C)cc12
Show InChI InChI=1S/C13H16ClN/c1-7-3-9-8(2)11-5-15-6-12(11)10(9)4-13(7)14/h3-4,8,11-12,15H,5-6H2,1-2H3/t8-,11-,12+/m0/s1
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134n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(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
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50188137
PNG
((3aS,8R,8aS)-6-chloro-5,8-dimethyl-1,2,3,3a,8,8a-h...)
Show SMILES C[C@@H]1[C@@H]2CNC[C@@H]2c2cc(C)c(Cl)cc12
Show InChI InChI=1S/C13H16ClN/c1-7-3-10-9(4-13(7)14)8(2)11-5-15-6-12(10)11/h3-4,8,11-12,15H,5-6H2,1-2H3/t8-,11-,12+/m0/s1
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155n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50188129
PNG
((3aS,8R,8aS)-5,6-dichloro-8-methyl-1,2,3,3a,8,8a-h...)
Show SMILES C[C@@H]1[C@@H]2CNC[C@@H]2c2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C12H13Cl2N/c1-6-7-2-11(13)12(14)3-8(7)10-5-15-4-9(6)10/h2-3,6,9-10,15H,4-5H2,1H3/t6-,9-,10+/m0/s1
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155n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(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
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50188142
PNG
((+/-)-(3aS,8aS)-5-bromo-6,8-dimethyl-1,2,3,3a,8,8a...)
Show SMILES CC1[C@@H]2CNC[C@@H]2c2cc(Br)c(C)cc12
Show InChI InChI=1S/C13H16BrN/c1-7-3-9-8(2)11-5-15-6-12(11)10(9)4-13(7)14/h3-4,8,11-12,15H,5-6H2,1-2H3/t8?,11-,12+/m0/s1
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207n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319489
PNG
(CHEMBL1084902 | rac-[3-(1,1-Dioxo-2-phenethyl-2,3-...)
Show SMILES Cc1c(C2N(CCc3ccccc3)S(=O)(=O)c3ccccc23)c2ccccc2n1CC(O)=O
Show InChI InChI=1S/C26H24N2O4S/c1-18-25(20-11-5-7-13-22(20)27(18)17-24(29)30)26-21-12-6-8-14-23(21)33(31,32)28(26)16-15-19-9-3-2-4-10-19/h2-14,26H,15-17H2,1H3,(H,29,30)
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220n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50188146
PNG
((3aS,8R,8aS)-6-chloro-5-ethoxy-8-methyl-1,2,3,3a,8...)
Show SMILES CCOc1cc2[C@H]3CNC[C@H]3[C@@H](C)c2cc1Cl
Show InChI InChI=1S/C14H18ClNO/c1-3-17-14-5-10-9(4-13(14)15)8(2)11-6-16-7-12(10)11/h4-5,8,11-12,16H,3,6-7H2,1-2H3/t8-,11-,12+/m0/s1
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231n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(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
G protein-coupled receptor 44


(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
G protein-coupled receptor 44


(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
G protein-coupled receptor 44


(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
G protein-coupled receptor 44


(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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319477
PNG
(CHEMBL1086341 | rac-[3-(1,1-Dioxo-2,3-dihydro-1H-1...)
Show SMILES Cc1c(C2NS(=O)(=O)c3ccccc23)c2cc(F)ccc2n1CC(O)=O
Show InChI InChI=1S/C18H15FN2O4S/c1-10-17(18-12-4-2-3-5-15(12)26(24,25)20-18)13-8-11(19)6-7-14(13)21(10)9-16(22)23/h2-8,18,20H,9H2,1H3,(H,22,23)
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430n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50188130
PNG
((+/-)-(3aS,8aS)-6-bromo-5,8-dimethyl-1,2,3,3a,8,8a...)
Show SMILES CC1[C@@H]2CNC[C@@H]2c2cc(C)c(Br)cc12
Show InChI InChI=1S/C13H16BrN/c1-7-3-10-9(4-13(7)14)8(2)11-5-15-6-12(10)11/h3-4,8,11-12,15H,5-6H2,1-2H3/t8?,11-,12+/m0/s1
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463n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50188128
PNG
((+/-)-(3aS,8aS)-5-chloro-6,8-dimethyl-1,2,3,3a,8,8...)
Show SMILES CC1[C@@H]2CNC[C@@H]2c2cc(Cl)c(C)cc12
Show InChI InChI=1S/C13H16ClN/c1-7-3-9-8(2)11-5-15-6-12(11)10(9)4-13(7)14/h3-4,8,11-12,15H,5-6H2,1-2H3/t8?,11-,12+/m0/s1
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465n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319485
PNG
(CHEMBL1085645 | rac-[3-(1,1-Dioxo-2-phenyl-2,3-dih...)
Show SMILES Cc1c(C2N(c3ccccc3)S(=O)(=O)c3ccccc23)c2ccccc2n1CC(O)=O
Show InChI InChI=1S/C24H20N2O4S/c1-16-23(18-11-5-7-13-20(18)25(16)15-22(27)28)24-19-12-6-8-14-21(19)31(29,30)26(24)17-9-3-2-4-10-17/h2-14,24H,15H2,1H3,(H,27,28)
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480n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50188135
PNG
((+/-)-(3aS,8aS)-6-chloro-5-methoxy-8-methyl-1,2,3,...)
Show SMILES COc1cc2[C@H]3CNC[C@H]3C(C)c2cc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-7-8-3-12(14)13(16-2)4-9(8)11-6-15-5-10(7)11/h3-4,7,10-11,15H,5-6H2,1-2H3/t7?,10-,11+/m0/s1
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530n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319483
PNG
(CHEMBL1085640 | rac-{2-Methyl-3-[2-(3-methyl-butyl...)
Show SMILES CC(C)CCN1C(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C23H26N2O4S/c1-15(2)12-13-25-23(18-9-5-7-11-20(18)30(25,28)29)22-16(3)24(14-21(26)27)19-10-6-4-8-17(19)22/h4-11,15,23H,12-14H2,1-3H3,(H,26,27)
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560n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319481
PNG
(CHEMBL1085639 | rac-[3-(1,1-Dioxo-2-phenethyl-2,3-...)
Show SMILES OC(=O)Cn1cc(C2N(CCc3ccccc3)S(=O)(=O)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H22N2O4S/c28-24(29)17-26-16-21(19-10-4-6-12-22(19)26)25-20-11-5-7-13-23(20)32(30,31)27(25)15-14-18-8-2-1-3-9-18/h1-13,16,25H,14-15,17H2,(H,28,29)
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630n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319476
PNG
(CHEMBL1083158 | rac-[5-Chloro-3-(1,1-dioxo-2,3-dih...)
Show SMILES Cc1c(C2NS(=O)(=O)c3ccccc23)c2cc(Cl)ccc2n1CC(O)=O
Show InChI InChI=1S/C18H15ClN2O4S/c1-10-17(18-12-4-2-3-5-15(12)26(24,25)20-18)13-8-11(19)6-7-14(13)21(10)9-16(22)23/h2-8,18,20H,9H2,1H3,(H,22,23)
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690n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50188125
PNG
((3aS,8R,8aS)-6-chloro-8-methyl-1,2,3,3a,8,8a-hexah...)
Show SMILES C[C@@H]1[C@@H]2CNC[C@@H]2c2ccc(Cl)cc12
Show InChI InChI=1S/C12H14ClN/c1-7-10-4-8(13)2-3-9(10)12-6-14-5-11(7)12/h2-4,7,11-12,14H,5-6H2,1H3/t7-,11-,12+/m0/s1
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911n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319484
PNG
(CHEMBL1085644 | rac-[3-(2-Isopropyl-1,1-dioxo-2,3-...)
Show SMILES CC(C)N1C(c2ccccc2S1(=O)=O)c1c(C)n(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C21H22N2O4S/c1-13(2)23-21(16-9-5-7-11-18(16)28(23,26)27)20-14(3)22(12-19(24)25)17-10-6-4-8-15(17)20/h4-11,13,21H,12H2,1-3H3,(H,24,25)
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920n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319480
PNG
(CHEMBL1086343 | rac-[3-(2-Benzyl-1,1-dioxo-2,3-dih...)
Show SMILES OC(=O)Cn1cc(C2N(Cc3ccccc3)S(=O)(=O)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H20N2O4S/c27-23(28)16-25-15-20(18-10-4-6-12-21(18)25)24-19-11-5-7-13-22(19)31(29,30)26(24)14-17-8-2-1-3-9-17/h1-13,15,24H,14,16H2,(H,27,28)
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1.10E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50188132
PNG
((3aS,8S,8aS)-5,6-dichloro-8-methyl-1,2,3,3a,8,8a-h...)
Show SMILES C[C@H]1[C@@H]2CNC[C@@H]2c2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C12H13Cl2N/c1-6-7-2-11(13)12(14)3-8(7)10-5-15-4-9(6)10/h2-3,6,9-10,15H,4-5H2,1H3/t6-,9+,10-/m1/s1
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1.14E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(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
G protein-coupled receptor 44


(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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319492
PNG
(CHEMBL1083752 | rac-{3-[1,1-Dioxo-2-(3-phenoxy-pro...)
Show SMILES Cc1c(C2N(CCCOc3ccccc3)S(=O)(=O)c3ccccc23)c2ccccc2n1CC(O)=O
Show InChI InChI=1S/C27H26N2O5S/c1-19-26(21-12-5-7-14-23(21)28(19)18-25(30)31)27-22-13-6-8-15-24(22)35(32,33)29(27)16-9-17-34-20-10-3-2-4-11-20/h2-8,10-15,27H,9,16-18H2,1H3,(H,30,31)
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1.40E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319493
PNG
(CHEMBL1086537 | rac-{3-[2-(2-Hydroxy-ethyl)-1,1-di...)
Show SMILES Cc1c(C2N(CCO)S(=O)(=O)c3ccccc23)c2ccccc2n1CC(O)=O
Show InChI InChI=1S/C20H20N2O5S/c1-13-19(14-6-2-4-8-16(14)21(13)12-18(24)25)20-15-7-3-5-9-17(15)28(26,27)22(20)10-11-23/h2-9,20,23H,10-12H2,1H3,(H,24,25)
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1.40E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
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