Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50017092 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)) | BDBM50177356
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cc1cn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)[nH]c1=O Show InChI InChI=1S/C22H31F3N6O2/c1-15-14-31(20(33)28-18(15)32)8-6-5-7-29-9-11-30(12-10-29)17-13-16(22(23,24)25)26-19(27-17)21(2,3)4/h13-14H,5-12H2,1-4H3,(H,28,32,33) | PDB
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| 1.30 | 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177357
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CCc1cn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)[nH]c1=O Show InChI InChI=1S/C23H33F3N6O2/c1-5-16-15-32(21(34)29-19(16)33)9-7-6-8-30-10-12-31(13-11-30)18-14-17(23(24,25)26)27-20(28-18)22(2,3)4/h14-15H,5-13H2,1-4H3,(H,29,33,34) | PDB
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| 1.70 | 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177347
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(Cl)c(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C21H28ClF3N6O2/c1-20(2,3)18-26-15(21(23,24)25)12-16(27-18)30-10-8-29(9-11-30)6-4-5-7-31-13-14(22)17(32)28-19(31)33/h12-13H,4-11H2,1-3H3,(H,28,32,33) | 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177344
(4-tert-butyl-1-(4-(4-(2-tert-butyl-6-(trifluoromet...)Show SMILES CC(C)(C)c1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1 Show InChI InChI=1S/C25H37F3N6O/c1-23(2,3)18-9-12-34(22(35)30-18)11-8-7-10-32-13-15-33(16-14-32)20-17-19(25(26,27)28)29-21(31-20)24(4,5)6/h9,12,17H,7-8,10-11,13-16H2,1-6H3 | PDB
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| 2.60 | 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177354
(2-(3-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCSc2nccc(=O)[nH]2)CC1 Show InChI InChI=1S/C20H27F3N6OS/c1-19(2,3)17-25-14(20(21,22)23)13-15(26-17)29-10-8-28(9-11-29)7-4-12-31-18-24-6-5-16(30)27-18/h5-6,13H,4,7-12H2,1-3H3,(H,24,27,30) | PDB
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PubMed
| 2.90 | 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177343
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(F)c(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C21H28F4N6O2/c1-20(2,3)18-26-15(21(23,24)25)12-16(27-18)30-10-8-29(9-11-30)6-4-5-7-31-13-14(22)17(32)28-19(31)33/h12-13H,4-11H2,1-3H3,(H,28,32,33) | PDB
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| 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177342
(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)N2CCCCC2)CC1 Show InChI InChI=1S/C26H38F3N7O/c1-25(2,3)23-30-20(26(27,28)29)19-22(31-23)35-17-15-33(16-18-35)10-7-8-13-36-14-9-21(32-24(36)37)34-11-5-4-6-12-34/h9,14,19H,4-8,10-13,15-18H2,1-3H3 | PDB
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| 3.40 | 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177353
(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)C2CC2)CC1 Show InChI InChI=1S/C24H33F3N6O/c1-23(2,3)21-29-19(24(25,26)27)16-20(30-21)32-14-12-31(13-15-32)9-4-5-10-33-11-8-18(17-6-7-17)28-22(33)34/h8,11,16-17H,4-7,9-10,12-15H2,1-3H3 | PDB
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PubMed
| 3.70 | 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
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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PubMed
| 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177351
(4-(azetidin-1-yl)-1-(4-(4-(2-tert-butyl-6-(trifluo...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)N2CCC2)CC1 Show InChI InChI=1S/C24H34F3N7O/c1-23(2,3)21-28-18(24(25,26)27)17-20(29-21)33-15-13-31(14-16-33)8-4-5-9-34-12-7-19(30-22(34)35)32-10-6-11-32/h7,12,17H,4-6,8-11,13-16H2,1-3H3 | PDB
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PubMed
| 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177346
(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/C27H39F3N6O/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/h11,14,19-20H,4-10,12-13,15-18H2,1-3H3 | PDB
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PubMed
| 4.80 | 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177359
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(C#N)c(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C22H28F3N7O2/c1-21(2,3)19-27-16(22(23,24)25)12-17(28-19)31-10-8-30(9-11-31)6-4-5-7-32-14-15(13-26)18(33)29-20(32)34/h12,14H,4-11H2,1-3H3,(H,29,33,34) | PDB
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| 4.80 | 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177348
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(c(=O)[nH]c2=O)C(F)(F)F)CC1 Show InChI InChI=1S/C22H28F6N6O2/c1-20(2,3)18-29-15(22(26,27)28)12-16(30-18)33-10-8-32(9-11-33)6-4-5-7-34-13-14(21(23,24)25)17(35)31-19(34)36/h12-13H,4-11H2,1-3H3,(H,31,35,36) | PDB
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| 5.40 | 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177355
(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)C2CCC2)CC1 Show InChI InChI=1S/C25H35F3N6O/c1-24(2,3)22-30-20(25(26,27)28)17-21(31-22)33-15-13-32(14-16-33)10-4-5-11-34-12-9-19(29-23(34)35)18-7-6-8-18/h9,12,17-18H,4-8,10-11,13-16H2,1-3H3 | PDB
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Similars
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PubMed
| 7.40 | 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177358
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CCOc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1 Show InChI InChI=1S/C23H33F3N6O2/c1-5-34-19-8-11-32(21(33)29-19)10-7-6-9-30-12-14-31(15-13-30)18-16-17(23(24,25)26)27-20(28-18)22(2,3)4/h8,11,16H,5-7,9-10,12-15H2,1-4H3 | PDB
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UniChem
| Article
PubMed
| 7.40 | 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177360
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cc1cn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n(C)c1=O Show InChI InChI=1S/C23H33F3N6O2/c1-16-15-32(21(34)29(5)19(16)33)9-7-6-8-30-10-12-31(13-11-30)18-14-17(23(24,25)26)27-20(28-18)22(2,3)4/h14-15H,6-13H2,1-5H3 | PDB
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| 10.4 | 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177352
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cn1c(=O)ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c1=O Show InChI InChI=1S/C22H31F3N6O2/c1-21(2,3)19-26-16(22(23,24)25)15-17(27-19)30-13-11-29(12-14-30)8-5-6-9-31-10-7-18(32)28(4)20(31)33/h7,10,15H,5-6,8-9,11-14H2,1-4H3 | PDB
UniProtKB/SwissProt
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PC cid
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UniChem
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PubMed
| 11.8 | 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50177361
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cccnc2=O)CC1 Show InChI InChI=1S/C21H29F3N6O/c1-20(2,3)18-26-16(21(22,23)24)15-17(27-18)29-13-11-28(12-14-29)8-4-5-9-30-10-6-7-25-19(30)31/h6-7,10,15H,4-5,8-9,11-14H2,1-3H3 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
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Similars
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PubMed
| 12.9 | 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 human cloned dopamine D3 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177351
(4-(azetidin-1-yl)-1-(4-(4-(2-tert-butyl-6-(trifluo...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2ccc(nc2=O)N2CCC2)CC1 Show InChI InChI=1S/C24H34F3N7O/c1-23(2,3)21-28-18(24(25,26)27)17-20(29-21)33-15-13-31(14-16-33)8-4-5-9-34-12-7-19(30-22(34)35)32-10-6-11-32/h7,12,17H,4-6,8-11,13-16H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 82.1 | 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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177342
(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)N2CCCCC2)CC1 Show InChI InChI=1S/C26H38F3N7O/c1-25(2,3)23-30-20(26(27,28)29)19-22(31-23)35-17-15-33(16-18-35)10-7-8-13-36-14-9-21(32-24(36)37)34-11-5-4-6-12-34/h9,14,19H,4-8,10-13,15-18H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 89.4 | 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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177357
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CCc1cn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)[nH]c1=O Show InChI InChI=1S/C23H33F3N6O2/c1-5-16-15-32(21(34)29-19(16)33)9-7-6-8-30-10-12-31(13-11-30)18-14-17(23(24,25)26)27-20(28-18)22(2,3)4/h14-15H,5-13H2,1-4H3,(H,29,33,34) | PDB
Reactome pathway
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PubMed
| 148 | 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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177353
(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)C2CC2)CC1 Show InChI InChI=1S/C24H33F3N6O/c1-23(2,3)21-29-19(24(25,26)27)16-20(30-21)32-14-12-31(13-15-32)9-4-5-10-33-11-8-18(17-6-7-17)28-22(33)34/h8,11,16-17H,4-7,9-10,12-15H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 155 | 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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
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
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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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177344
(4-tert-butyl-1-(4-(4-(2-tert-butyl-6-(trifluoromet...)Show SMILES CC(C)(C)c1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1 Show InChI InChI=1S/C25H37F3N6O/c1-23(2,3)18-9-12-34(22(35)30-18)11-8-7-10-32-13-15-33(16-14-32)20-17-19(25(26,27)28)29-21(31-20)24(4,5)6/h9,12,17H,7-8,10-11,13-16H2,1-6H3 | PDB
Reactome pathway
KEGG
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PubMed
| 216 | 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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177347
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(Cl)c(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C21H28ClF3N6O2/c1-20(2,3)18-26-15(21(23,24)25)12-16(27-18)30-10-8-29(9-11-30)6-4-5-7-31-13-14(22)17(32)28-19(31)33/h12-13H,4-11H2,1-3H3,(H,28,32,33) | PDB
Reactome pathway
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PubMed
| 220 | 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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177355
(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)C2CCC2)CC1 Show InChI InChI=1S/C25H35F3N6O/c1-24(2,3)22-30-20(25(26,27)28)17-21(31-22)33-15-13-32(14-16-33)10-4-5-11-34-12-9-19(29-23(34)35)18-7-6-8-18/h9,12,17-18H,4-8,10-11,13-16H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 273 | 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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177358
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CCOc1ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n1 Show InChI InChI=1S/C23H33F3N6O2/c1-5-34-19-8-11-32(21(33)29-19)10-7-6-9-30-12-14-31(15-13-30)18-16-17(23(24,25)26)27-20(28-18)22(2,3)4/h8,11,16H,5-7,9-10,12-15H2,1-4H3 | PDB
Reactome pathway
KEGG
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| Article
PubMed
| 290 | 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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177346
(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/C27H39F3N6O/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/h11,14,19-20H,4-10,12-13,15-18H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 302 | 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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
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
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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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177356
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cc1cn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)[nH]c1=O Show InChI InChI=1S/C22H31F3N6O2/c1-15-14-31(20(33)28-18(15)32)8-6-5-7-29-9-11-30(12-10-29)17-13-16(22(23,24)25)26-19(27-17)21(2,3)4/h13-14H,5-12H2,1-4H3,(H,28,32,33) | PDB
Reactome pathway
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Similars
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PubMed
| 320 | 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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177354
(2-(3-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCSc2nccc(=O)[nH]2)CC1 Show InChI InChI=1S/C20H27F3N6OS/c1-19(2,3)17-25-14(20(21,22)23)13-15(26-17)29-10-8-28(9-11-29)7-4-12-31-18-24-6-5-16(30)27-18/h5-6,13H,4,7-12H2,1-3H3,(H,24,27,30) | PDB
Reactome pathway
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PubMed
| 351 | 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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177360
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cc1cn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c(=O)n(C)c1=O Show InChI InChI=1S/C23H33F3N6O2/c1-16-15-32(21(34)29(5)19(16)33)9-7-6-8-30-10-12-31(13-11-30)18-14-17(23(24,25)26)27-20(28-18)22(2,3)4/h14-15H,6-13H2,1-5H3 | PDB
Reactome pathway
KEGG
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Similars
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PubMed
| 356 | 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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177361
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cccnc2=O)CC1 Show InChI InChI=1S/C21H29F3N6O/c1-20(2,3)18-26-16(21(22,23)24)15-17(27-18)29-13-11-28(12-14-29)8-4-5-9-30-10-6-7-25-19(30)31/h6-7,10,15H,4-5,8-9,11-14H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 447 | 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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177359
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(C#N)c(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C22H28F3N7O2/c1-21(2,3)19-27-16(22(23,24)25)12-17(28-19)31-10-8-30(9-11-31)6-4-5-7-32-14-15(13-26)18(33)29-20(32)34/h12,14H,4-11H2,1-3H3,(H,29,33,34) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 473 | 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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177343
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(F)c(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C21H28F4N6O2/c1-20(2,3)18-26-15(21(23,24)25)12-16(27-18)30-10-8-29(9-11-30)6-4-5-7-31-13-14(22)17(32)28-19(31)33/h12-13H,4-11H2,1-3H3,(H,28,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 602 | 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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177352
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES Cn1c(=O)ccn(CCCCN2CCN(CC2)c2cc(nc(n2)C(C)(C)C)C(F)(F)F)c1=O Show InChI InChI=1S/C22H31F3N6O2/c1-21(2,3)19-26-16(22(23,24)25)15-17(27-19)30-13-11-29(12-14-30)8-5-6-9-31-10-7-18(32)28(4)20(31)33/h7,10,15H,5-6,8-9,11-14H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 610 | 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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50177348
(1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...)Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(c(=O)[nH]c2=O)C(F)(F)F)CC1 Show InChI InChI=1S/C22H28F6N6O2/c1-20(2,3)18-29-15(22(26,27)28)12-16(30-18)33-10-8-32(9-11-33)6-4-5-7-34-13-14(21(23,24)25)17(35)31-19(34)36/h12-13H,4-11H2,1-3H3,(H,31,35,36) | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 646 | 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 human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 16: 490-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.068
BindingDB Entry DOI: 10.7270/Q2TH8M89 |
More data for this
Ligand-Target Pair | |
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