Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50017371 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 |
|---|
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181170
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)c1 Show InChI InChI=1S/C23H32F3N5O/c1-17-7-10-31(20(32)15-17)9-6-5-8-29-11-13-30(14-12-29)19-16-18(23(24,25)26)27-21(28-19)22(2,3)4/h7,10,15-16H,5-6,8-9,11-14H2,1-4H3 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181161
(3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CCN(CC)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H37F3N6O/c1-6-30(7-2)20(32)26-10-8-9-11-29-12-14-31(15-13-29)18-16-17(22(23,24)25)27-19(28-18)21(3,4)5/h16H,6-15H2,1-5H3,(H,26,32) | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181164
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(O)cc2=O)CC1 Show InChI InChI=1S/C22H30F3N5O2/c1-21(2,3)20-26-17(22(23,24)25)15-18(27-20)29-12-10-28(11-13-29)7-4-5-8-30-9-6-16(31)14-19(30)32/h6,9,14-15,31H,4-5,7-8,10-13H2,1-3H3 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177350
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C27H33F3N6O/c1-26(2,3)24-32-22(27(28,29)30)19-23(33-24)35-17-15-34(16-18-35)12-7-8-13-36-14-11-21(31-25(36)37)20-9-5-4-6-10-20/h4-6,9-11,14,19H,7-8,12-13,15-18H2,1-3H3 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181169
(CHEMBL207871 | N-(4-(4-(2-tert-butyl-6-(trifluorom...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)CCc2ccccc2)CC1 Show InChI InChI=1S/C26H36F3N5O/c1-25(2,3)24-31-21(26(27,28)29)19-22(32-24)34-17-15-33(16-18-34)14-8-7-13-30-23(35)12-11-20-9-5-4-6-10-20/h4-6,9-10,19H,7-8,11-18H2,1-3H3,(H,30,35) | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177349
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C21H29F3N6O2/c1-20(2,3)18-25-15(21(22,23)24)14-16(26-18)29-12-10-28(11-13-29)7-4-5-8-30-9-6-17(31)27-19(30)32/h6,9,14H,4-5,7-8,10-13H2,1-3H3,(H,27,31,32) | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181165
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES COc1cccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c1=O Show InChI InChI=1S/C23H32F3N5O2/c1-22(2,3)21-27-18(23(24,25)26)16-19(28-21)30-14-12-29(13-15-30)9-5-6-10-31-11-7-8-17(33-4)20(31)32/h7-8,11,16H,5-6,9-10,12-15H2,1-4H3 | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181172
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cc1cccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c1=O Show InChI InChI=1S/C23H32F3N5O/c1-17-8-7-11-31(20(17)32)10-6-5-9-29-12-14-30(15-13-29)19-16-18(23(24,25)26)27-21(28-19)22(2,3)4/h7-8,11,16H,5-6,9-10,12-15H2,1-4H3 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181156
(1-benzyl-3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)NCc2ccccc2)CC1 Show InChI InChI=1S/C25H35F3N6O/c1-24(2,3)22-31-20(25(26,27)28)17-21(32-22)34-15-13-33(14-16-34)12-8-7-11-29-23(35)30-18-19-9-5-4-6-10-19/h4-6,9-10,17H,7-8,11-16,18H2,1-3H3,(H2,29,30,35) | PDB
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181162
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)Nc2ccccc2)CC1 Show InChI InChI=1S/C24H33F3N6O/c1-23(2,3)21-30-19(24(25,26)27)17-20(31-21)33-15-13-32(14-16-33)12-8-7-11-28-22(34)29-18-9-5-4-6-10-18/h4-6,9-10,17H,7-8,11-16H2,1-3H3,(H2,28,29,34) | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181171
(1-tert-butyl-3-(4-(4-(2-tert-butyl-6-(trifluoromet...)Show SMILES CC(C)(C)NC(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H37F3N6O/c1-20(2,3)18-27-16(22(23,24)25)15-17(28-18)31-13-11-30(12-14-31)10-8-7-9-26-19(32)29-21(4,5)6/h15H,7-14H2,1-6H3,(H2,26,29,32) | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177345
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1 Show InChI InChI=1S/C22H31F3N6O/c1-16-7-10-31(20(32)26-16)9-6-5-8-29-11-13-30(14-12-29)18-15-17(22(23,24)25)27-19(28-18)21(2,3)4/h7,10,15H,5-6,8-9,11-14H2,1-4H3 | PDB
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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181163
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)CNC(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H39F3N6O/c1-21(2,3)16-28-20(33)27-9-7-8-10-31-11-13-32(14-12-31)18-15-17(23(24,25)26)29-19(30-18)22(4,5)6/h15H,7-14,16H2,1-6H3,(H2,27,28,33) | PDB
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| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181167
(CHEMBL424690 | N-benzyl-6-(4-(2-tert-butyl-6-(trif...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCCC(=O)NCc2ccccc2)CC1 Show InChI InChI=1S/C26H36F3N5O/c1-25(2,3)24-31-21(26(27,28)29)18-22(32-24)34-16-14-33(15-17-34)13-9-5-8-12-23(35)30-19-20-10-6-4-7-11-20/h4,6-7,10-11,18H,5,8-9,12-17,19H2,1-3H3,(H,30,35) | PDB
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| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181159
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)NCC2CCCCC2)CC1 Show InChI InChI=1S/C25H41F3N6O/c1-24(2,3)22-31-20(25(26,27)28)17-21(32-22)34-15-13-33(14-16-34)12-8-7-11-29-23(35)30-18-19-9-5-4-6-10-19/h17,19H,4-16,18H2,1-3H3,(H2,29,30,35) | PDB
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| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181173
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)NCCc2ccccc2)CC1 Show InChI InChI=1S/C26H37F3N6O/c1-25(2,3)23-32-21(26(27,28)29)19-22(33-23)35-17-15-34(16-18-35)14-8-7-12-30-24(36)31-13-11-20-9-5-4-6-10-20/h4-6,9-10,19H,7-8,11-18H2,1-3H3,(H2,30,31,36) | PDB
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| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181158
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(cc2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C28H34F3N5O/c1-27(2,3)26-32-23(28(29,30)31)20-24(33-26)35-17-15-34(16-18-35)12-7-8-13-36-14-11-22(19-25(36)37)21-9-5-4-6-10-21/h4-6,9-11,14,19-20H,7-8,12-13,15-18H2,1-3H3 | PDB
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| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181168
(1-benzyl-3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)...)Show SMILES CCN(Cc1ccccc1)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C27H39F3N6O/c1-5-35(20-21-11-7-6-8-12-21)25(37)31-13-9-10-14-34-15-17-36(18-16-34)23-19-22(27(28,29)30)32-24(33-23)26(2,3)4/h6-8,11-12,19H,5,9-10,13-18,20H2,1-4H3,(H,31,37) | PDB
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| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181174
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cccc(c2=O)C(F)(F)F)CC1 Show InChI InChI=1S/C23H29F6N5O/c1-21(2,3)20-30-17(23(27,28)29)15-18(31-20)33-13-11-32(12-14-33)8-4-5-9-34-10-6-7-16(19(34)35)22(24,25)26/h6-7,10,15H,4-5,8-9,11-14H2,1-3H3 | PDB
UniProtKB/SwissProt
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PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181155
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(cc2=O)C(F)(F)F)CC1 Show InChI InChI=1S/C23H29F6N5O/c1-21(2,3)20-30-17(23(27,28)29)15-18(31-20)33-12-10-32(11-13-33)7-4-5-8-34-9-6-16(14-19(34)35)22(24,25)26/h6,9,14-15H,4-5,7-8,10-13H2,1-3H3 | PDB
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| 11.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181160
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cc1cccc(=O)n1CCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H32F3N5O/c1-17-8-7-9-20(32)31(17)11-6-5-10-29-12-14-30(15-13-29)19-16-18(23(24,25)26)27-21(28-19)22(2,3)4/h7-9,16H,5-6,10-15H2,1-4H3 | PDB
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| 12.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181175
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)C(F)(F)F)CC1 Show InChI InChI=1S/C22H28F6N6O/c1-20(2,3)18-29-16(22(26,27)28)14-17(31-18)33-12-10-32(11-13-33)7-4-5-8-34-9-6-15(21(23,24)25)30-19(34)35/h6,9,14H,4-5,7-8,10-13H2,1-3H3 | PDB
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| 14.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181161
(3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CCN(CC)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H37F3N6O/c1-6-30(7-2)20(32)26-10-8-9-11-29-12-14-31(15-13-29)18-16-17(22(23,24)25)27-19(28-18)21(3,4)5/h16H,6-15H2,1-5H3,(H,26,32) | PDB
Reactome pathway
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| 17.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181164
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(O)cc2=O)CC1 Show InChI InChI=1S/C22H30F3N5O2/c1-21(2,3)20-26-17(22(23,24)25)15-18(27-20)29-12-10-28(11-13-29)7-4-5-8-30-9-6-16(31)14-19(30)32/h6,9,14-15,31H,4-5,7-8,10-13H2,1-3H3 | PDB
Reactome pathway
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| 25.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181157
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(Cl)ccc2=O)CC1 Show InChI InChI=1S/C22H29ClF3N5O/c1-21(2,3)20-27-17(22(24,25)26)14-18(28-20)30-12-10-29(11-13-30)8-4-5-9-31-15-16(23)6-7-19(31)32/h6-7,14-15H,4-5,8-13H2,1-3H3 | PDB
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| 32.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50181166
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(ccc2=O)C(F)(F)F)CC1 Show InChI InChI=1S/C23H29F6N5O/c1-21(2,3)20-30-17(23(27,28)29)14-18(31-20)33-12-10-32(11-13-33)8-4-5-9-34-15-16(22(24,25)26)6-7-19(34)35/h6-7,14-15H,4-5,8-13H2,1-3H3 | PDB
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| 35.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D3 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181162
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)Nc2ccccc2)CC1 Show InChI InChI=1S/C24H33F3N6O/c1-23(2,3)21-30-19(24(25,26)27)17-20(31-21)33-15-13-32(14-16-33)12-8-7-11-28-22(34)29-18-9-5-4-6-10-18/h4-6,9-10,17H,7-8,11-16H2,1-3H3,(H2,28,29,34) | PDB
Reactome pathway
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| 59.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181170
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)c1 Show InChI InChI=1S/C23H32F3N5O/c1-17-7-10-31(20(32)15-17)9-6-5-8-29-11-13-30(14-12-29)19-16-18(23(24,25)26)27-21(28-19)22(2,3)4/h7,10,15-16H,5-6,8-9,11-14H2,1-4H3 | PDB
Reactome pathway
KEGG
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| 62.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181171
(1-tert-butyl-3-(4-(4-(2-tert-butyl-6-(trifluoromet...)Show SMILES CC(C)(C)NC(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H37F3N6O/c1-20(2,3)18-27-16(22(23,24)25)15-17(28-18)31-13-11-30(12-14-31)10-8-7-9-26-19(32)29-21(4,5)6/h15H,7-14H2,1-6H3,(H2,26,29,32) | PDB
Reactome pathway
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| 65.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181163
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)CNC(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H39F3N6O/c1-21(2,3)16-28-20(33)27-9-7-8-10-31-11-13-32(14-12-31)18-15-17(23(24,25)26)29-19(30-18)22(4,5)6/h15H,7-14,16H2,1-6H3,(H2,27,28,33) | PDB
Reactome pathway
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| 91.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181157
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(Cl)ccc2=O)CC1 Show InChI InChI=1S/C22H29ClF3N5O/c1-21(2,3)20-27-17(22(24,25)26)14-18(28-20)30-12-10-29(11-13-30)8-4-5-9-31-15-16(23)6-7-19(31)32/h6-7,14-15H,4-5,8-13H2,1-3H3 | PDB
Reactome pathway
KEGG
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PubMed
| 128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181156
(1-benzyl-3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)NCc2ccccc2)CC1 Show InChI InChI=1S/C25H35F3N6O/c1-24(2,3)22-31-20(25(26,27)28)17-21(32-22)34-15-13-33(14-16-34)12-8-7-11-29-23(35)30-18-19-9-5-4-6-10-19/h4-6,9-10,17H,7-8,11-16,18H2,1-3H3,(H2,29,30,35) | PDB
Reactome pathway
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PubMed
| 137 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181159
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)NCC2CCCCC2)CC1 Show InChI InChI=1S/C25H41F3N6O/c1-24(2,3)22-31-20(25(26,27)28)17-21(32-22)34-15-13-33(14-16-34)12-8-7-11-29-23(35)30-18-19-9-5-4-6-10-19/h17,19H,4-16,18H2,1-3H3,(H2,29,30,35) | PDB
Reactome pathway
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PubMed
| 159 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181165
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES COc1cccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c1=O Show InChI InChI=1S/C23H32F3N5O2/c1-22(2,3)21-27-18(23(24,25)26)16-19(28-21)30-14-12-29(13-15-30)9-5-6-10-31-11-7-8-17(33-4)20(31)32/h7-8,11,16H,5-6,9-10,12-15H2,1-4H3 | PDB
Reactome pathway
KEGG
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PubMed
| 168 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177350
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C27H33F3N6O/c1-26(2,3)24-32-22(27(28,29)30)19-23(33-24)35-17-15-34(16-18-35)12-7-8-13-36-14-11-21(31-25(36)37)20-9-5-4-6-10-20/h4-6,9-11,14,19H,7-8,12-13,15-18H2,1-3H3 | PDB
Reactome pathway
KEGG
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PubMed
| 168 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181172
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cc1cccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c1=O Show InChI InChI=1S/C23H32F3N5O/c1-17-8-7-11-31(20(17)32)10-6-5-9-29-12-14-30(15-13-29)19-16-18(23(24,25)26)27-21(28-19)22(2,3)4/h7-8,11,16H,5-6,9-10,12-15H2,1-4H3 | PDB
Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| 171 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181167
(CHEMBL424690 | N-benzyl-6-(4-(2-tert-butyl-6-(trif...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCCC(=O)NCc2ccccc2)CC1 Show InChI InChI=1S/C26H36F3N5O/c1-25(2,3)24-31-21(26(27,28)29)18-22(32-24)34-16-14-33(15-17-34)13-9-5-8-12-23(35)30-19-20-10-6-4-7-11-20/h4,6-7,10-11,18H,5,8-9,12-17,19H2,1-3H3,(H,30,35) | PDB
Reactome pathway
KEGG
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PubMed
| 174 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181160
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cc1cccc(=O)n1CCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H32F3N5O/c1-17-8-7-9-20(32)31(17)11-6-5-10-29-12-14-30(15-13-29)19-16-18(23(24,25)26)27-21(28-19)22(2,3)4/h7-9,16H,5-6,10-15H2,1-4H3 | PDB
Reactome pathway
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PubMed
| 195 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177349
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C21H29F3N6O2/c1-20(2,3)18-25-15(21(22,23)24)14-16(26-18)29-12-10-28(11-13-29)7-4-5-8-30-9-6-17(31)27-19(30)32/h6,9,14H,4-5,7-8,10-13H2,1-3H3,(H,27,31,32) | PDB
Reactome pathway
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PubMed
| 196 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181168
(1-benzyl-3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)...)Show SMILES CCN(Cc1ccccc1)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C27H39F3N6O/c1-5-35(20-21-11-7-6-8-12-21)25(37)31-13-9-10-14-34-15-17-36(18-16-34)23-19-22(27(28,29)30)32-24(33-23)26(2,3)4/h6-8,11-12,19H,5,9-10,13-18,20H2,1-4H3,(H,31,37) | PDB
Reactome pathway
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PubMed
| 212 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181155
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(cc2=O)C(F)(F)F)CC1 Show InChI InChI=1S/C23H29F6N5O/c1-21(2,3)20-30-17(23(27,28)29)15-18(31-20)33-12-10-32(11-13-33)7-4-5-8-34-9-6-16(14-19(34)35)22(24,25)26/h6,9,14-15H,4-5,7-8,10-13H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 231 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181173
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)NCCc2ccccc2)CC1 Show InChI InChI=1S/C26H37F3N6O/c1-25(2,3)23-32-21(26(27,28)29)19-22(33-23)35-17-15-34(16-18-35)14-8-7-12-30-24(36)31-13-11-20-9-5-4-6-10-20/h4-6,9-10,19H,7-8,11-18H2,1-3H3,(H2,30,31,36) | PDB
Reactome pathway
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PubMed
| 234 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181169
(CHEMBL207871 | N-(4-(4-(2-tert-butyl-6-(trifluorom...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)CCc2ccccc2)CC1 Show InChI InChI=1S/C26H36F3N5O/c1-25(2,3)24-31-21(26(27,28)29)19-22(32-24)34-17-15-33(16-18-34)14-8-7-13-30-23(35)12-11-20-9-5-4-6-10-20/h4-6,9-10,19H,7-8,11-18H2,1-3H3,(H,30,35) | PDB
Reactome pathway
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PubMed
| 244 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177345
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1 Show InChI InChI=1S/C22H31F3N6O/c1-16-7-10-31(20(32)26-16)9-6-5-8-29-11-13-30(14-12-29)18-15-17(22(23,24)25)27-19(28-18)21(2,3)4/h7,10,15H,5-6,8-9,11-14H2,1-4H3 | PDB
Reactome pathway
KEGG
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PubMed
| 307 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181166
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(ccc2=O)C(F)(F)F)CC1 Show InChI InChI=1S/C23H29F6N5O/c1-21(2,3)20-30-17(23(27,28)29)14-18(31-20)33-12-10-32(11-13-33)8-4-5-9-34-15-16(22(24,25)26)6-7-19(34)35/h6-7,14-15H,4-5,8-13H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 399 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181174
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cccc(c2=O)C(F)(F)F)CC1 Show InChI InChI=1S/C23H29F6N5O/c1-21(2,3)20-30-17(23(27,28)29)15-18(31-20)33-13-11-32(12-14-33)8-4-5-9-34-10-6-7-16(19(34)35)22(24,25)26/h6-7,10,15H,4-5,8-9,11-14H2,1-3H3 | PDB
Reactome pathway
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| 409 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181158
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(cc2=O)-c2ccccc2)CC1 Show InChI InChI=1S/C28H34F3N5O/c1-27(2,3)26-32-23(28(29,30)31)20-24(33-26)35-17-15-34(16-18-35)12-7-8-13-36-14-11-22(19-25(36)37)21-9-5-4-6-10-21/h4-6,9-11,14,19-20H,7-8,12-13,15-18H2,1-3H3 | PDB
Reactome pathway
KEGG
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PubMed
| 527 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50181175
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)C(F)(F)F)CC1 Show InChI InChI=1S/C22H28F6N6O/c1-20(2,3)18-29-16(22(26,27)28)14-17(31-18)33-12-10-32(11-13-33)7-4-5-8-34-9-6-15(21(23,24)25)30-19(34)35/h6,9,14H,4-5,7-8,10-13H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 936 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to cloned human dopamine D2 receptor |
Bioorg Med Chem Lett 16: 1934-7 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.079
BindingDB Entry DOI: 10.7270/Q29S1QMG |
More data for this
Ligand-Target Pair | |
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