Found 652 hits with Last Name = 'cauchon' and Initial = 'e' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184222
(2-(5-bromo-4-((7-chloroquinolin-2-yl)methyl)-7-(me...)Show SMILES CS(=O)(=O)c1cc(Br)c2n(Cc3ccc4ccc(Cl)cc4n3)c3C(CC(O)=O)CCc3c2c1 Show InChI InChI=1S/C24H20BrClN2O4S/c1-33(31,32)17-10-19-18-7-4-14(8-22(29)30)23(18)28(24(19)20(25)11-17)12-16-6-3-13-2-5-15(26)9-21(13)27-16/h2-3,5-6,9-11,14H,4,7-8,12H2,1H3,(H,29,30) | UniProtKB/SwissProt
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184241
(2-(9-(4-chlorobenzyl)-8-(methylthio)-2,3,4,9-tetra...)Show SMILES CSc1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C22H22ClNO2S/c1-27-19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26) | UniProtKB/SwissProt
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184236
(2-(4-(4-chlorobenzyl)-5-bromo-7-(methylsulfonyl)-1...)Show SMILES CS(=O)(=O)c1cc(Br)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1 Show InChI InChI=1S/C21H19BrClNO4S/c1-29(27,28)15-9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18(22)10-15)11-12-2-5-14(23)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26) | UniProtKB/SwissProt
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184230
(2-((R)-9-(4-chlorobenzyl)-8-((S)-methylsulfinyl)-2...)Show SMILES C[S@](=O)c1cccc2c3CCC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C22H22ClNO3S/c1-28(27)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)/t15-,28+/m1/s1 | UniProtKB/SwissProt
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50184215
(2-(9-(4-chlorobenzyl)-6,8-difluoro-2,3,4,9-tetrahy...)Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(F)cc(F)cc21 Show InChI InChI=1S/C21H18ClF2NO2/c22-14-6-4-12(5-7-14)11-25-20-13(8-19(26)27)2-1-3-16(20)17-9-15(23)10-18(24)21(17)25/h4-7,9-10,13H,1-3,8,11H2,(H,26,27) | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to TP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184213
(2-(9-(4-chlorobenzyl)-8-isopropyl-2,3,4,9-tetrahyd...)Show SMILES CC(C)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C24H26ClNO2/c1-15(2)19-6-4-8-21-20-7-3-5-17(13-22(27)28)23(20)26(24(19)21)14-16-9-11-18(25)12-10-16/h4,6,8-12,15,17H,3,5,7,13-14H2,1-2H3,(H,27,28) | UniProtKB/SwissProt
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184217
(2-((R)-4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(me...)Show SMILES CC(O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O Show InChI InChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28)/t13?,15-/m1/s1 | UniProtKB/SwissProt
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184216
(2-((R)-9-(4-chlorobenzyl)-8-((R)-methylsulfinyl)-2...)Show SMILES C[S@@](=O)c1cccc2c3CCC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C22H22ClNO3S/c1-28(27)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)/t15-,28-/m1/s1 | UniProtKB/SwissProt
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184225
(2-(9-(4-chlorobenzyl)-8-(methylsulfonyl)-2,3,4,9-t...)Show SMILES CS(=O)(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C22H22ClNO4S/c1-29(27,28)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26) | UniProtKB/SwissProt
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50184244
(2-(9-(4-chlorobenzyl)-8-bromo-2,3,4,9-tetrahydro-1...)Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cccc21 Show InChI InChI=1S/C21H19BrClNO2/c22-18-6-2-5-17-16-4-1-3-14(11-19(25)26)20(16)24(21(17)18)12-13-7-9-15(23)10-8-13/h2,5-10,14H,1,3-4,11-12H2,(H,25,26) | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to TP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50184228
(2-(9-(4-chlorobenzyl)-2,3,4,9-tetrahydro-1H-carbaz...)Show InChI InChI=1S/C21H20ClNO2/c22-16-10-8-14(9-11-16)13-23-19-7-2-1-5-17(19)18-6-3-4-15(21(18)23)12-20(24)25/h1-2,5,7-11,15H,3-4,6,12-13H2,(H,24,25) | PDB
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to TP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50184241
(2-(9-(4-chlorobenzyl)-8-(methylthio)-2,3,4,9-tetra...)Show SMILES CSc1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C22H22ClNO2S/c1-27-19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26) | PDB
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PC sid
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to TP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184244
(2-(9-(4-chlorobenzyl)-8-bromo-2,3,4,9-tetrahydro-1...)Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cccc21 Show InChI InChI=1S/C21H19BrClNO2/c22-18-6-2-5-17-16-4-1-3-14(11-19(25)26)20(16)24(21(17)18)12-13-7-9-15(23)10-8-13/h2,5-10,14H,1,3-4,11-12H2,(H,25,26) | UniProtKB/SwissProt
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184212
((R)-2-(4-(4-chlorobenzyl)-5-acetyl-7-(methylsulfon...)Show SMILES CC(=O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O |r| Show InChI InChI=1S/C23H22ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,15H,5,8-9,12H2,1-2H3,(H,27,28)/t15-/m1/s1 | UniProtKB/SwissProt
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184219
(2-(4-(4-chlorobenzyl)-5-cyclohexyl-7-(methylsulfon...)Show SMILES CS(=O)(=O)c1cc(C2CCCCC2)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1 Show InChI InChI=1S/C27H30ClNO4S/c1-34(32,33)21-14-23(18-5-3-2-4-6-18)27-24(15-21)22-12-9-19(13-25(30)31)26(22)29(27)16-17-7-10-20(28)11-8-17/h7-8,10-11,14-15,18-19H,2-6,9,12-13,16H2,1H3,(H,30,31) | UniProtKB/SwissProt
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184238
(2-(9-(4-chlorobenzyl)-8-(methylsulfinyl)-2,3,4,9-t...)Show SMILES CS(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C22H22ClNO3S/c1-28(27)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26) | UniProtKB/SwissProt
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184235
(2-(4-(3-chlorobenzyl)-5-bromo-7-(methylsulfonyl)-1...)Show SMILES CS(=O)(=O)c1cc(Br)c2n(Cc3cccc(Cl)c3)c3C(CC(O)=O)CCc3c2c1 Show InChI InChI=1S/C21H19BrClNO4S/c1-29(27,28)15-9-17-16-6-5-13(8-19(25)26)20(16)24(21(17)18(22)10-15)11-12-3-2-4-14(23)7-12/h2-4,7,9-10,13H,5-6,8,11H2,1H3,(H,25,26) | UniProtKB/SwissProt
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184220
(2-(4-(4-chlorobenzyl)-7-(methylsulfonyl)-5-vinyl-1...)Show SMILES CS(=O)(=O)c1cc(C=C)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1 Show InChI InChI=1S/C23H22ClNO4S/c1-3-15-10-18(30(2,28)29)12-20-19-9-6-16(11-21(26)27)23(19)25(22(15)20)13-14-4-7-17(24)8-5-14/h3-5,7-8,10,12,16H,1,6,9,11,13H2,2H3,(H,26,27) | UniProtKB/SwissProt
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184229
(2-(9-(4-chlorobenzyl)-8-(benzylsulfinyl)-2,3,4,9-t...)Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(cccc21)S(=O)Cc1ccccc1 Show InChI InChI=1S/C28H26ClNO3S/c29-22-14-12-19(13-15-22)17-30-27-21(16-26(31)32)8-4-9-23(27)24-10-5-11-25(28(24)30)34(33)18-20-6-2-1-3-7-20/h1-3,5-7,10-15,21H,4,8-9,16-18H2,(H,31,32) | UniProtKB/SwissProt
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184231
(2-(9-(4-chlorobenzyl)-8-(ethylsulfinyl)-2,3,4,9-te...)Show SMILES CCS(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C23H24ClNO3S/c1-2-29(28)20-8-4-7-19-18-6-3-5-16(13-21(26)27)22(18)25(23(19)20)14-15-9-11-17(24)12-10-15/h4,7-12,16H,2-3,5-6,13-14H2,1H3,(H,26,27) | UniProtKB/SwissProt
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184214
(2-(4-(3-(trifluoromethoxy)benzyl)-5-bromo-7-(methy...)Show SMILES CS(=O)(=O)c1cc(Br)c2n(Cc3cccc(OC(F)(F)F)c3)c3C(CC(O)=O)CCc3c2c1 Show InChI InChI=1S/C22H19BrF3NO5S/c1-33(30,31)15-9-17-16-6-5-13(8-19(28)29)20(16)27(21(17)18(23)10-15)11-12-3-2-4-14(7-12)32-22(24,25)26/h2-4,7,9-10,13H,5-6,8,11H2,1H3,(H,28,29) | UniProtKB/SwissProt
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| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184243
(CHEMBL207451 | [5-bromo-4-(4-chloro-benzyl)-7-dime...)Show SMILES CN(C)S(=O)(=O)c1cc(Br)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1 Show InChI InChI=1S/C22H22BrClN2O4S/c1-25(2)31(29,30)16-10-18-17-8-5-14(9-20(27)28)21(17)26(22(18)19(23)11-16)12-13-3-6-15(24)7-4-13/h3-4,6-7,10-11,14H,5,8-9,12H2,1-2H3,(H,27,28) | UniProtKB/SwissProt
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| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184232
(2-(5-bromo-4-((2,3-dichlorothieno[3,2-b]pyridin-5-...)Show SMILES CS(=O)(=O)c1cc(Br)c2n(Cc3ccc4sc(Cl)c(Cl)c4n3)c3C(CC(O)=O)CCc3c2c1 Show InChI InChI=1S/C22H17BrCl2N2O4S2/c1-33(30,31)12-7-14-13-4-2-10(6-17(28)29)20(13)27(21(14)15(23)8-12)9-11-3-5-16-19(26-11)18(24)22(25)32-16/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,28,29) | UniProtKB/SwissProt
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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184223
(2-(4-(4-chlorobenzyl)-7-(methylsulfonyl)-5-(thioph...)Show SMILES CS(=O)(=O)c1cc(-c2cccs2)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1 Show InChI InChI=1S/C25H22ClNO4S2/c1-33(30,31)18-12-20-19-9-6-16(11-23(28)29)24(19)27(14-15-4-7-17(26)8-5-15)25(20)21(13-18)22-3-2-10-32-22/h2-5,7-8,10,12-13,16H,6,9,11,14H2,1H3,(H,28,29) | UniProtKB/SwissProt
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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50184225
(2-(9-(4-chlorobenzyl)-8-(methylsulfonyl)-2,3,4,9-t...)Show SMILES CS(=O)(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C22H22ClNO4S/c1-29(27,28)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26) | PDB
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| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to TP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184239
(2-(9-(4-chlorobenzyl)-8-formyl-2,3,4,9-tetrahydro-...)Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(C=O)cccc21 Show InChI InChI=1S/C22H20ClNO3/c23-17-9-7-14(8-10-17)12-24-21-15(11-20(26)27)3-1-5-18(21)19-6-2-4-16(13-25)22(19)24/h2,4,6-10,13,15H,1,3,5,11-12H2,(H,26,27) | UniProtKB/SwissProt
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50184239
(2-(9-(4-chlorobenzyl)-8-formyl-2,3,4,9-tetrahydro-...)Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(C=O)cccc21 Show InChI InChI=1S/C22H20ClNO3/c23-17-9-7-14(8-10-17)12-24-21-15(11-20(26)27)3-1-5-18(21)19-6-2-4-16(13-25)22(19)24/h2,4,6-10,13,15H,1,3,5,11-12H2,(H,26,27) | PDB
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| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to TP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184224
(2-(4-(4-tert-butylbenzyl)-5-bromo-7-(methylsulfony...)Show SMILES CC(C)(C)c1ccc(Cn2c3C(CC(O)=O)CCc3c3cc(cc(Br)c23)S(C)(=O)=O)cc1 Show InChI InChI=1S/C25H28BrNO4S/c1-25(2,3)17-8-5-15(6-9-17)14-27-23-16(11-22(28)29)7-10-19(23)20-12-18(32(4,30)31)13-21(26)24(20)27/h5-6,8-9,12-13,16H,7,10-11,14H2,1-4H3,(H,28,29) | UniProtKB/SwissProt
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| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50184245
(2-(9-(4-chlorobenzyl)-8-(hydroxymethyl)-2,3,4,9-te...)Show SMILES OCc1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C22H22ClNO3/c23-17-9-7-14(8-10-17)12-24-21-15(11-20(26)27)3-1-5-18(21)19-6-2-4-16(13-25)22(19)24/h2,4,6-10,15,25H,1,3,5,11-13H2,(H,26,27) | PDB
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| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to TP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184234
(2-(4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(methyl...)Show SMILES CC(O)c1cc(cc2c3CCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O Show InChI InChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28) | UniProtKB/SwissProt
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| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50184213
(2-(9-(4-chlorobenzyl)-8-isopropyl-2,3,4,9-tetrahyd...)Show SMILES CC(C)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C24H26ClNO2/c1-15(2)19-6-4-8-21-20-7-3-5-17(13-22(27)28)23(20)26(24(19)21)14-16-9-11-18(25)12-10-16/h4,6,8-12,15,17H,3,5,7,13-14H2,1-2H3,(H,27,28) | PDB
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| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to TP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184240
(2-(4-(4-chlorobenzyl)-5-acetyl-7-(methylsulfonyl)-...)Show SMILES CC(=O)c1cc(cc2c3CCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O Show InChI InChI=1S/C23H22ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,15H,5,8-9,12H2,1-2H3,(H,27,28) | UniProtKB/SwissProt
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| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184247
(2-(4-(4-chlorobenzyl)-5-cyano-7-(methylsulfonyl)-1...)Show SMILES CS(=O)(=O)c1cc(C#N)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1 Show InChI InChI=1S/C22H19ClN2O4S/c1-30(28,29)17-8-15(11-24)22-19(10-17)18-7-4-14(9-20(26)27)21(18)25(22)12-13-2-5-16(23)6-3-13/h2-3,5-6,8,10,14H,4,7,9,12H2,1H3,(H,26,27) | UniProtKB/SwissProt
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PubMed
| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184215
(2-(9-(4-chlorobenzyl)-6,8-difluoro-2,3,4,9-tetrahy...)Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(F)cc(F)cc21 Show InChI InChI=1S/C21H18ClF2NO2/c22-14-6-4-12(5-7-14)11-25-20-13(8-19(26)27)2-1-3-16(20)17-9-15(23)10-18(24)21(17)25/h4-7,9-10,13H,1-3,8,11H2,(H,26,27) | UniProtKB/SwissProt
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184245
(2-(9-(4-chlorobenzyl)-8-(hydroxymethyl)-2,3,4,9-te...)Show SMILES OCc1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C22H22ClNO3/c23-17-9-7-14(8-10-17)12-24-21-15(11-20(26)27)3-1-5-18(21)19-6-2-4-16(13-25)22(19)24/h2,4,6-10,15,25H,1,3,5,11-13H2,(H,26,27) | UniProtKB/SwissProt
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184226
(2-(9-(4-chlorobenzyl)-8-(isopropylsulfinyl)-2,3,4,...)Show SMILES CC(C)S(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C24H26ClNO3S/c1-15(2)30(29)21-8-4-7-20-19-6-3-5-17(13-22(27)28)23(19)26(24(20)21)14-16-9-11-18(25)12-10-16/h4,7-12,15,17H,3,5-6,13-14H2,1-2H3,(H,27,28) | UniProtKB/SwissProt
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184237
(2-(9-(4-chlorobenzyl)-8-(dimethylcarbamoyl)-2,3,4,...)Show SMILES CN(C)C(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C24H25ClN2O3/c1-26(2)24(30)20-8-4-7-19-18-6-3-5-16(13-21(28)29)22(18)27(23(19)20)14-15-9-11-17(25)12-10-15/h4,7-12,16H,3,5-6,13-14H2,1-2H3,(H,28,29) | UniProtKB/SwissProt
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PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184218
(2-(9-(4-chlorobenzyl)-8-(phenylsulfinyl)-2,3,4,9-t...)Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(cccc21)S(=O)c1ccccc1 Show InChI InChI=1S/C27H24ClNO3S/c28-20-14-12-18(13-15-20)17-29-26-19(16-25(30)31)6-4-9-22(26)23-10-5-11-24(27(23)29)33(32)21-7-2-1-3-8-21/h1-3,5,7-8,10-15,19H,4,6,9,16-17H2,(H,30,31) | UniProtKB/SwissProt
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PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184228
(2-(9-(4-chlorobenzyl)-2,3,4,9-tetrahydro-1H-carbaz...)Show InChI InChI=1S/C21H20ClNO2/c22-16-10-8-14(9-11-16)13-23-19-7-2-1-5-17(19)18-6-3-4-15(21(18)23)12-20(24)25/h1-2,5,7-11,15H,3-4,6,12-13H2,(H,24,25) | UniProtKB/SwissProt
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50340424
((1S,2S)-pivaloyloxymethyl 2-((3-(((3R,4S)-N-cyclop...)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OC[C@H]2C[C@@H]2C(=O)OCOC(=O)C(C)(C)C)c1 |r| Show InChI InChI=1S/C46H58Cl2N2O9/c1-29-19-40(47)42(41(48)20-29)56-18-17-55-35-12-8-32(9-13-35)37-14-15-49-25-39(37)43(51)50(34-10-11-34)26-31-21-30(7-6-16-54-5)22-36(23-31)57-27-33-24-38(33)44(52)58-28-59-45(53)46(2,3)4/h8-9,12-13,19-23,33-34,37-39,49H,6-7,10-11,14-18,24-28H2,1-5H3/t33-,37-,38+,39+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 2430-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.067
BindingDB Entry DOI: 10.7270/Q2G16157 |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50184216
(2-((R)-9-(4-chlorobenzyl)-8-((R)-methylsulfinyl)-2...)Show SMILES C[S@@](=O)c1cccc2c3CCC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C22H22ClNO3S/c1-28(27)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)/t15-,28-/m1/s1 | PDB
UniProtKB/SwissProt
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to TP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50340406
((3R,4S)-N-(3-((1-(cyanomethyl)cyclopropyl)methoxy)...)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCC2(CC#N)CC2)c1 |r| Show InChI InChI=1S/C41H49Cl2N3O5/c1-28-20-37(42)39(38(43)21-28)50-19-18-49-33-9-5-31(6-10-33)35-11-16-45-25-36(35)40(47)46(32-7-8-32)26-30-22-29(4-3-17-48-2)23-34(24-30)51-27-41(12-13-41)14-15-44/h5-6,9-10,20-24,32,35-36,45H,3-4,7-8,11-14,16-19,25-27H2,1-2H3/t35-,36+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
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PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 2430-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.067
BindingDB Entry DOI: 10.7270/Q2G16157 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184227
(2-(9-(4-chlorobenzyl)-6-(methylsulfonyl)-2,3,4,9-t...)Show SMILES CS(=O)(=O)c1ccc2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCCc3c2c1 Show InChI InChI=1S/C22H22ClNO4S/c1-29(27,28)17-9-10-20-19(12-17)18-4-2-3-15(11-21(25)26)22(18)24(20)13-14-5-7-16(23)8-6-14/h5-10,12,15H,2-4,11,13H2,1H3,(H,25,26) | UniProtKB/SwissProt
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50340409
((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCCNS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C39H51Cl2N3O7S/c1-27-20-36(40)38(37(41)21-27)51-19-18-50-32-11-7-30(8-12-32)34-13-15-42-25-35(34)39(45)44(31-9-10-31)26-29-22-28(6-4-16-48-2)23-33(24-29)49-17-5-14-43-52(3,46)47/h7-8,11-12,20-24,31,34-35,42-43H,4-6,9-10,13-19,25-26H2,1-3H3/t34-,35+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
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PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 2430-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.067
BindingDB Entry DOI: 10.7270/Q2G16157 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50340412
((1S,2S)-ethyl 2-((3-(((3R,4S)-N-cyclopropyl-4-(4-(...)Show SMILES CCOC(=O)[C@H]1C[C@@H]1COc1cc(CCCOC)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C42H52Cl2N2O7/c1-4-50-42(48)36-23-31(36)26-53-34-21-28(6-5-15-49-3)20-29(22-34)25-46(32-9-10-32)41(47)37-24-45-14-13-35(37)30-7-11-33(12-8-30)51-16-17-52-40-38(43)18-27(2)19-39(40)44/h7-8,11-12,18-22,31-32,35-37,45H,4-6,9-10,13-17,23-26H2,1-3H3/t31-,35-,36+,37+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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| CHEMBL
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UniChem
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PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 2430-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.067
BindingDB Entry DOI: 10.7270/Q2G16157 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50340407
((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-meth...)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C38H48Cl2N2O6/c1-26-19-35(39)37(36(40)20-26)48-18-17-46-31-10-6-29(7-11-31)33-12-13-41-24-34(33)38(43)42(30-8-9-30)25-28-21-27(5-4-14-44-2)22-32(23-28)47-16-15-45-3/h6-7,10-11,19-23,30,33-34,41H,4-5,8-9,12-18,24-25H2,1-3H3/t33-,34+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
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UniChem
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PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 2430-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.067
BindingDB Entry DOI: 10.7270/Q2G16157 |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50184242
(2-(9-(4-chlorobenzyl)-8-(phenylcarbamoyl)-2,3,4,9-...)Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(cccc21)C(=O)Nc1ccccc1 Show InChI InChI=1S/C28H25ClN2O3/c29-20-14-12-18(13-15-20)17-31-26-19(16-25(32)33)6-4-9-22(26)23-10-5-11-24(27(23)31)28(34)30-21-7-2-1-3-8-21/h1-3,5,7-8,10-15,19H,4,6,9,16-17H2,(H,30,34)(H,32,33) | PDB
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| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to TP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50184218
(2-(9-(4-chlorobenzyl)-8-(phenylsulfinyl)-2,3,4,9-t...)Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(cccc21)S(=O)c1ccccc1 Show InChI InChI=1S/C27H24ClNO3S/c28-20-14-12-18(13-15-20)17-29-26-19(16-25(30)31)6-4-9-22(26)23-10-5-11-24(27(23)29)33(32)21-7-2-1-3-8-21/h1-3,5,7-8,10-15,19H,4,6,9,16-17H2,(H,30,31) | PDB
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| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to TP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50184243
(CHEMBL207451 | [5-bromo-4-(4-chloro-benzyl)-7-dime...)Show SMILES CN(C)S(=O)(=O)c1cc(Br)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1 Show InChI InChI=1S/C22H22BrClN2O4S/c1-25(2)31(29,30)16-10-18-17-8-5-14(9-20(27)28)21(17)26(22(18)19(23)11-16)12-13-3-6-15(24)7-4-13/h3-4,6-7,10-11,14H,5,8-9,12H2,1-2H3,(H,27,28) | PDB
UniProtKB/SwissProt
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PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to TP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor
(Homo sapiens (Human)) | BDBM50184242
(2-(9-(4-chlorobenzyl)-8-(phenylcarbamoyl)-2,3,4,9-...)Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(cccc21)C(=O)Nc1ccccc1 Show InChI InChI=1S/C28H25ClN2O3/c29-20-14-12-18(13-15-20)17-31-26-19(16-25(32)33)6-4-9-22(26)23-10-5-11-24(27(23)31)28(34)30-21-7-2-1-3-8-21/h1-3,5,7-8,10-15,19H,4,6,9,16-17H2,(H,30,34)(H,32,33) | UniProtKB/SwissProt
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
Curated by ChEMBL
| Assay Description
Binding affinity to DP receptor |
Bioorg Med Chem Lett 16: 3043-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X |
More data for this
Ligand-Target Pair | |
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