Found 116 hits with Last Name = 'vágó' and Initial = 'i' 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 |
|---|
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50156455
((R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-...)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12 |r,t:27| Show InChI InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1 | PDB
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| 0.0340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50382290
(CARIPRAZINE HYDROCHLORIDE | RGH-188 HCL)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(.89,-12.18,;2.22,-12.95,;2.22,-14.49,;3.56,-12.18,;3.56,-10.64,;4.89,-12.95,;6.22,-12.18,;6.22,-10.64,;7.55,-9.86,;8.88,-10.64,;10.22,-9.87,;11.55,-10.65,;12.88,-9.88,;14.21,-10.66,;15.54,-9.9,;15.55,-8.36,;14.22,-7.58,;12.88,-8.35,;16.89,-7.6,;18.25,-8.33,;19.56,-7.51,;19.51,-5.97,;18.16,-5.25,;18.11,-3.71,;16.84,-6.06,;15.49,-5.33,;8.88,-12.18,;7.55,-12.94,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17- | PDB
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| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Binding affinity to human dopamine D3 receptor |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382312
(CHEMBL2024677)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(Cl)cc(Cl)c2)CC1 |r,wU:6.5,wD:9.9,(6.35,-23.87,;7.68,-24.65,;7.68,-26.19,;9.02,-23.88,;9.02,-22.34,;10.35,-24.65,;11.68,-23.88,;11.68,-22.34,;13.01,-21.56,;14.34,-22.34,;15.68,-21.57,;17.01,-22.35,;18.34,-21.58,;19.67,-22.36,;21,-21.6,;21.01,-20.06,;19.68,-19.28,;18.34,-20.04,;22.35,-19.3,;23.68,-20.08,;25.02,-19.32,;26.35,-20.1,;25.03,-17.78,;23.69,-17,;23.7,-15.46,;22.36,-17.76,;14.34,-23.88,;13.01,-24.64,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-19-5-3-16(4-6-19)7-8-26-9-11-27(12-10-26)20-14-17(22)13-18(23)15-20/h13-16,19H,3-12H2,1-2H3,(H,24,28)/t16-,19- | KEGG
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| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382310
(CHEMBL2024675)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(Cl)ccc2Cl)CC1 |r,wU:6.5,wD:9.9,(23.12,-11.63,;24.45,-12.4,;24.45,-13.94,;25.79,-11.64,;25.79,-10.1,;27.12,-12.41,;28.45,-11.64,;28.45,-10.1,;29.78,-9.32,;31.11,-10.1,;32.45,-9.33,;33.78,-10.1,;35.11,-9.34,;36.44,-10.12,;37.77,-9.36,;37.78,-7.82,;36.45,-7.04,;35.11,-7.8,;39.12,-7.06,;39.13,-5.52,;40.46,-4.76,;40.46,-3.22,;41.8,-5.54,;41.79,-7.08,;40.45,-7.84,;40.44,-9.38,;31.11,-11.64,;29.78,-12.4,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-18-6-3-16(4-7-18)9-10-26-11-13-27(14-12-26)20-15-17(22)5-8-19(20)23/h5,8,15-16,18H,3-4,6-7,9-14H2,1-2H3,(H,24,28)/t16-,18- | KEGG
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| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50382290
(CARIPRAZINE HYDROCHLORIDE | RGH-188 HCL)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(.89,-12.18,;2.22,-12.95,;2.22,-14.49,;3.56,-12.18,;3.56,-10.64,;4.89,-12.95,;6.22,-12.18,;6.22,-10.64,;7.55,-9.86,;8.88,-10.64,;10.22,-9.87,;11.55,-10.65,;12.88,-9.88,;14.21,-10.66,;15.54,-9.9,;15.55,-8.36,;14.22,-7.58,;12.88,-8.35,;16.89,-7.6,;18.25,-8.33,;19.56,-7.51,;19.51,-5.97,;18.16,-5.25,;18.11,-3.71,;16.84,-6.06,;15.49,-5.33,;8.88,-12.18,;7.55,-12.94,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17- | PDB
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| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Binding affinity to human dopamine D2S receptor |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381274
(CHEMBL2018866)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1CCc2ccccc2C1CC(=O)N[C@H]1CC[C@H](CCC2=NCCN2)CC1 |r,wU:25.27,wD:28.31,t:34,(-10.48,-5.02,;-9.15,-4.25,;-7.8,-5.01,;-6.48,-4.24,;-6.49,-2.7,;-7.82,-1.93,;-9.15,-2.71,;-10.49,-1.94,;-5.16,-1.93,;-3.68,-1.52,;-4.07,-3.02,;-5.16,-.39,;-6.5,.37,;-6.5,1.92,;-5.18,2.7,;-5.18,4.24,;-3.85,5.02,;-2.5,4.25,;-2.5,2.7,;-3.83,1.93,;-3.83,.39,;-2.49,-.38,;-1.16,.39,;-1.16,1.93,;.18,-.37,;1.51,.4,;1.49,1.94,;2.83,2.71,;4.17,1.94,;5.5,2.7,;6.83,1.93,;8.1,2.81,;8.14,4.36,;9.61,4.8,;10.49,3.54,;9.55,2.31,;4.16,.4,;2.84,-.37,)| Show InChI InChI=1S/C28H34Cl2N4O3S/c29-24-11-10-22(17-25(24)30)38(36,37)34-16-13-20-3-1-2-4-23(20)26(34)18-28(35)33-21-8-5-19(6-9-21)7-12-27-31-14-15-32-27/h1-4,10-11,17,19,21,26H,5-9,12-16,18H2,(H,31,32)(H,33,35)/t19-,21-,26? | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381267
(CHEMBL2018871)Show SMILES Fc1ccc-2c(c1)C(CC(=O)NCCc1ccc(cc1)C1=NCCN1)N(c1ccccc-21)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |t:22| Show InChI InChI=1S/C32H27Cl2FN4O3S/c33-27-12-10-23(18-28(27)34)43(41,42)39-29-4-2-1-3-25(29)24-11-9-22(35)17-26(24)30(39)19-31(40)36-14-13-20-5-7-21(8-6-20)32-37-15-16-38-32/h1-12,17-18,30H,13-16,19H2,(H,36,40)(H,37,38) | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382306
(CHEMBL2024522)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2Cl)CC1 |r,wU:6.5,wD:9.9,(5.86,-.97,;7.19,-1.74,;7.19,-3.28,;8.53,-.97,;8.53,.57,;9.86,-1.74,;11.19,-.97,;11.19,.57,;12.52,1.35,;13.85,.57,;15.19,1.33,;16.52,.56,;17.85,1.33,;19.18,.55,;20.51,1.31,;20.52,2.85,;19.19,3.62,;17.85,2.86,;21.86,3.61,;21.87,5.14,;23.2,5.91,;24.54,5.13,;24.53,3.58,;23.19,2.83,;23.18,1.29,;13.85,-.97,;12.52,-1.73,)| Show InChI InChI=1S/C21H33ClN4O/c1-24(2)21(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)20-6-4-3-5-19(20)22/h3-6,17-18H,7-16H2,1-2H3,(H,23,27)/t17-,18- | KEGG
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381265
(CHEMBL2018873)Show SMILES COc1cccc2C(CC(=O)NCCc3ccc(cc3)C3=NCCN3)N(c3ccccc3-c12)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |t:21| Show InChI InChI=1S/C33H30Cl2N4O4S/c1-43-30-8-4-6-25-29(20-31(40)36-16-15-21-9-11-22(12-10-21)33-37-17-18-38-33)39(28-7-3-2-5-24(28)32(25)30)44(41,42)23-13-14-26(34)27(35)19-23/h2-14,19,29H,15-18,20H2,1H3,(H,36,40)(H,37,38) | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381279
(CHEMBL2018861)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1CCc2ccccc2C1CC(=O)NCCc1ccc(cc1)C1=NCCN1 |t:37| Show InChI InChI=1S/C28H28Cl2N4O3S/c29-24-10-9-22(17-25(24)30)38(36,37)34-16-12-20-3-1-2-4-23(20)26(34)18-27(35)31-13-11-19-5-7-21(8-6-19)28-32-14-15-33-28/h1-10,17,26H,11-16,18H2,(H,31,35)(H,32,33) | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381270
(CHEMBL2018868)Show SMILES Cc1cc(C)c(cc1C)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 |t:28| Show InChI InChI=1S/C35H36N4O3S/c1-23-20-25(3)33(21-24(23)2)43(41,42)39-31-11-7-6-9-29(31)28-8-4-5-10-30(28)32(39)22-34(40)36-17-16-26-12-14-27(15-13-26)35-37-18-19-38-35/h4-15,20-21,32H,16-19,22H2,1-3H3,(H,36,40)(H,37,38) | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381271
(CHEMBL2018867)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 |t:27| Show InChI InChI=1S/C32H28Cl2N4O3S/c33-27-14-13-23(19-28(27)34)42(40,41)38-29-8-4-3-6-25(29)24-5-1-2-7-26(24)30(38)20-31(39)35-16-15-21-9-11-22(12-10-21)32-36-17-18-37-32/h1-14,19,30H,15-18,20H2,(H,35,39)(H,36,37) | PDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382311
(CHEMBL2024676)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)CC1 |r,wU:6.5,wD:9.9,(-8.97,-23.7,;-7.64,-24.48,;-7.64,-26.02,;-6.31,-23.71,;-6.3,-22.17,;-4.97,-24.48,;-3.64,-23.71,;-3.64,-22.17,;-2.31,-21.39,;-.98,-22.17,;.35,-21.4,;1.69,-22.17,;3.02,-21.41,;4.35,-22.19,;5.68,-21.43,;5.69,-19.89,;4.36,-19.11,;3.02,-19.87,;7.03,-19.13,;7.04,-17.59,;8.37,-16.83,;9.71,-17.61,;11.04,-16.85,;9.7,-19.15,;11.02,-19.93,;8.36,-19.91,;-.98,-23.71,;-2.31,-24.47,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-5-3-16(4-6-17)9-10-26-11-13-27(14-12-26)18-7-8-19(22)20(23)15-18/h7-8,15-17H,3-6,9-14H2,1-2H3,(H,24,28)/t16-,17- | KEGG
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381275
(CHEMBL2018865)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1CCc2ccccc2C1CC(=O)N1CCC(Cc2ccc(cc2)C2=NCCN2)CC1 |t:39| Show InChI InChI=1S/C32H34Cl2N4O3S/c33-28-10-9-26(20-29(28)34)42(40,41)38-18-13-24-3-1-2-4-27(24)30(38)21-31(39)37-16-11-23(12-17-37)19-22-5-7-25(8-6-22)32-35-14-15-36-32/h1-10,20,23,30H,11-19,21H2,(H,35,36) | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381277
(CHEMBL2018863)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)N[C@H]2CC[C@H](CCC3=NCCN3)CC2)CCc2ccccc12 |r,wU:17.17,wD:20.21,t:24,(-10.44,-4.97,;-9.11,-4.2,;-7.77,-4.96,;-6.44,-4.19,;-6.45,-2.65,;-7.79,-1.88,;-9.12,-2.66,;-10.45,-1.89,;-5.12,-1.88,;-3.64,-1.47,;-4.04,-2.97,;-5.13,-.34,;-3.79,.44,;-2.45,-.33,;-1.12,.44,;-1.13,1.98,;.21,-.32,;1.55,.45,;1.53,1.99,;2.87,2.76,;4.2,1.99,;5.54,2.76,;6.87,1.98,;8.1,2.92,;8.07,4.47,;9.52,4.97,;10.45,3.75,;9.57,2.48,;4.2,.45,;2.87,-.32,;-3.8,1.98,;-5.14,2.75,;-6.47,1.97,;-7.8,2.73,;-9.13,1.96,;-9.13,.42,;-7.8,-.35,;-6.46,.42,)| Show InChI InChI=1S/C28H34Cl2N4O3S/c29-24-13-12-23(18-25(24)30)38(36,37)34-22(11-8-20-3-1-2-4-26(20)34)17-28(35)33-21-9-5-19(6-10-21)7-14-27-31-15-16-32-27/h1-4,12-13,18-19,21-22H,5-11,14-17H2,(H,31,32)(H,33,35)/t19-,21-,22? | PDB
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381269
(CHEMBL2018869)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 |t:26| Show InChI InChI=1S/C33H32N4O3S/c1-23-10-16-26(17-11-23)41(39,40)37-30-9-5-4-7-28(30)27-6-2-3-8-29(27)31(37)22-32(38)34-19-18-24-12-14-25(15-13-24)33-35-20-21-36-33/h2-17,31H,18-22H2,1H3,(H,34,38)(H,35,36) | PDB
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| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382307
(CHEMBL2024523)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2)CC1 |r,wU:6.5,wD:9.9,(24.62,.37,;25.95,-.4,;25.95,-1.94,;27.29,.37,;27.29,1.91,;28.62,-.41,;29.95,.37,;29.95,1.91,;31.28,2.68,;32.61,1.91,;33.95,2.67,;35.28,1.9,;36.61,2.66,;37.94,1.88,;39.27,2.64,;39.28,4.18,;37.95,4.96,;36.61,4.2,;40.62,4.95,;40.63,6.48,;41.96,7.24,;43.3,6.46,;43.29,4.92,;44.62,4.14,;41.95,4.16,;32.61,.37,;31.28,-.4,)| Show InChI InChI=1S/C21H33ClN4O/c1-24(2)21(27)23-19-8-6-17(7-9-19)10-11-25-12-14-26(15-13-25)20-5-3-4-18(22)16-20/h3-5,16-17,19H,6-15H2,1-2H3,(H,23,27)/t17-,19- | KEGG
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| 4.95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382309
(CHEMBL2024525)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Cl)cc2Cl)CC1 |r,wU:6.5,wD:9.9,(3.15,-13.27,;4.48,-14.04,;4.48,-15.58,;5.81,-13.27,;5.81,-11.73,;7.15,-14.04,;8.48,-13.27,;8.48,-11.73,;9.81,-10.95,;11.14,-11.73,;12.47,-10.96,;13.8,-11.74,;15.14,-10.97,;16.46,-11.75,;17.8,-10.99,;17.81,-9.45,;16.48,-8.67,;15.13,-9.43,;19.15,-8.69,;19.15,-7.16,;20.49,-6.39,;21.82,-7.17,;23.16,-6.41,;21.81,-8.71,;20.48,-9.47,;20.46,-11.01,;11.14,-13.27,;9.81,-14.03,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-18-6-3-16(4-7-18)9-10-26-11-13-27(14-12-26)20-8-5-17(22)15-19(20)23/h5,8,15-16,18H,3-4,6-7,9-14H2,1-2H3,(H,24,28)/t16-,18- | KEGG
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| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50382290
(CARIPRAZINE HYDROCHLORIDE | RGH-188 HCL)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(.89,-12.18,;2.22,-12.95,;2.22,-14.49,;3.56,-12.18,;3.56,-10.64,;4.89,-12.95,;6.22,-12.18,;6.22,-10.64,;7.55,-9.86,;8.88,-10.64,;10.22,-9.87,;11.55,-10.65,;12.88,-9.88,;14.21,-10.66,;15.54,-9.9,;15.55,-8.36,;14.22,-7.58,;12.88,-8.35,;16.89,-7.6,;18.25,-8.33,;19.56,-7.51,;19.51,-5.97,;18.16,-5.25,;18.11,-3.71,;16.84,-6.06,;15.49,-5.33,;8.88,-12.18,;7.55,-12.94,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17- | PDB
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| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Binding affinity to human dopamine D2L receptor |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381281
(CHEMBL2018859)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)CCc2ccccc12 |t:27| Show InChI InChI=1S/C28H28Cl2N4O3S/c29-24-12-11-23(18-25(24)30)38(36,37)34-22(10-9-20-3-1-2-4-26(20)34)17-27(35)31-14-13-19-5-7-21(8-6-19)28-32-15-16-33-28/h1-8,11-12,18,22H,9-10,13-17H2,(H,31,35)(H,32,33) | PDB
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50382310
(CHEMBL2024675)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(Cl)ccc2Cl)CC1 |r,wU:6.5,wD:9.9,(23.12,-11.63,;24.45,-12.4,;24.45,-13.94,;25.79,-11.64,;25.79,-10.1,;27.12,-12.41,;28.45,-11.64,;28.45,-10.1,;29.78,-9.32,;31.11,-10.1,;32.45,-9.33,;33.78,-10.1,;35.11,-9.34,;36.44,-10.12,;37.77,-9.36,;37.78,-7.82,;36.45,-7.04,;35.11,-7.8,;39.12,-7.06,;39.13,-5.52,;40.46,-4.76,;40.46,-3.22,;41.8,-5.54,;41.79,-7.08,;40.45,-7.84,;40.44,-9.38,;31.11,-11.64,;29.78,-12.4,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-18-6-3-16(4-7-18)9-10-26-11-13-27(14-12-26)20-15-17(22)5-8-19(20)23/h5,8,15-16,18H,3-4,6-7,9-14H2,1-2H3,(H,24,28)/t16-,18- | PDB
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| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381273
(CHEMBL2018874)Show SMILES COc1cccc2C(CC(=O)N[C@H]3CC[C@H](CCN4CCCC4)CC3)N(c3ccccc3-c12)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r,wU:12.11,wD:15.15,(21.69,-37.95,;21.69,-39.49,;23.03,-40.25,;24.36,-39.47,;25.71,-40.24,;25.71,-41.79,;24.38,-42.56,;24.39,-44.11,;25.72,-44.87,;27.05,-44.1,;27.05,-42.56,;28.39,-44.87,;29.72,-44.09,;29.7,-42.56,;31.04,-41.79,;32.38,-42.56,;33.71,-41.79,;35.05,-42.56,;36.27,-41.63,;37.75,-42.06,;38.62,-40.8,;37.69,-39.57,;36.24,-40.08,;32.38,-44.1,;31.05,-44.86,;23.05,-44.88,;21.71,-44.12,;20.38,-44.89,;19.04,-44.12,;19.04,-42.58,;20.37,-41.81,;21.71,-42.57,;23.04,-41.79,;23.05,-46.42,;24.54,-46.02,;24.14,-47.51,;21.72,-47.2,;21.73,-48.73,;20.41,-49.51,;19.06,-48.74,;17.73,-49.51,;19.06,-47.2,;17.72,-46.43,;20.39,-46.43,)| Show InChI InChI=1S/C34H39Cl2N3O4S/c1-43-32-10-6-8-27-31(22-33(40)37-24-13-11-23(12-14-24)17-20-38-18-4-5-19-38)39(30-9-3-2-7-26(30)34(27)32)44(41,42)25-15-16-28(35)29(36)21-25/h2-3,6-10,15-16,21,23-24,31H,4-5,11-14,17-20,22H2,1H3,(H,37,40)/t23-,24-,31? | PDB
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| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381266
(CHEMBL2018872)Show SMILES Fc1cc(F)c-2c(c1)C(CC(=O)NCCc1ccc(cc1)C1=NCCN1)N(c1ccccc-21)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |t:23| Show InChI InChI=1S/C32H26Cl2F2N4O3S/c33-25-10-9-22(17-26(25)34)44(42,43)40-28-4-2-1-3-23(28)31-24(15-21(35)16-27(31)36)29(40)18-30(41)37-12-11-19-5-7-20(8-6-19)32-38-13-14-39-32/h1-10,15-17,29H,11-14,18H2,(H,37,41)(H,38,39) | PDB
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| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382308
(CHEMBL2024524)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Cl)cc2)CC1 |r,wU:6.5,wD:9.9,(-10.57,-12.75,;-9.23,-13.52,;-9.24,-15.06,;-7.9,-12.76,;-7.9,-11.22,;-6.57,-13.53,;-5.23,-12.76,;-5.23,-11.22,;-3.91,-10.44,;-2.58,-11.22,;-1.24,-10.45,;.09,-11.22,;1.43,-10.46,;2.75,-11.24,;4.08,-10.48,;4.1,-8.94,;2.77,-8.16,;1.42,-8.92,;5.44,-8.18,;6.76,-8.96,;8.1,-8.2,;8.11,-6.66,;9.45,-5.89,;6.77,-5.88,;5.44,-6.64,;-2.58,-12.76,;-3.91,-13.52,)| Show InChI InChI=1S/C21H33ClN4O/c1-24(2)21(27)23-19-7-3-17(4-8-19)11-12-25-13-15-26(16-14-25)20-9-5-18(22)6-10-20/h5-6,9-10,17,19H,3-4,7-8,11-16H2,1-2H3,(H,23,27)/t17-,19- | KEGG
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| 13.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381268
(CHEMBL2018870)Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 |t:27| Show InChI InChI=1S/C33H32N4O4S/c1-41-25-14-16-26(17-15-25)42(39,40)37-30-9-5-4-7-28(30)27-6-2-3-8-29(27)31(37)22-32(38)34-19-18-23-10-12-24(13-11-23)33-35-20-21-36-33/h2-17,31H,18-22H2,1H3,(H,34,38)(H,35,36) | PDB
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| 15.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382305
(CHEMBL2024521)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1 |r,wU:6.5,wD:9.9,(-10.22,-1.67,;-8.89,-2.44,;-8.89,-3.98,;-7.56,-1.67,;-7.56,-.13,;-6.22,-2.44,;-4.89,-1.67,;-4.89,-.13,;-3.56,.65,;-2.23,-.13,;-.9,.63,;.43,-.14,;1.77,.63,;3.09,-.15,;4.43,.61,;4.44,2.15,;3.11,2.92,;1.76,2.16,;5.78,2.91,;7.11,2.13,;8.44,2.88,;8.45,4.43,;7.12,5.21,;5.78,4.44,;-2.23,-1.67,;-3.56,-2.43,)| Show InChI InChI=1S/C21H34N4O/c1-23(2)21(26)22-19-10-8-18(9-11-19)12-13-24-14-16-25(17-15-24)20-6-4-3-5-7-20/h3-7,18-19H,8-17H2,1-2H3,(H,22,26)/t18-,19- | KEGG
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| 15.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50382306
(CHEMBL2024522)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2Cl)CC1 |r,wU:6.5,wD:9.9,(5.86,-.97,;7.19,-1.74,;7.19,-3.28,;8.53,-.97,;8.53,.57,;9.86,-1.74,;11.19,-.97,;11.19,.57,;12.52,1.35,;13.85,.57,;15.19,1.33,;16.52,.56,;17.85,1.33,;19.18,.55,;20.51,1.31,;20.52,2.85,;19.19,3.62,;17.85,2.86,;21.86,3.61,;21.87,5.14,;23.2,5.91,;24.54,5.13,;24.53,3.58,;23.19,2.83,;23.18,1.29,;13.85,-.97,;12.52,-1.73,)| Show InChI InChI=1S/C21H33ClN4O/c1-24(2)21(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)20-6-4-3-5-19(20)22/h3-6,17-18H,7-16H2,1-2H3,(H,23,27)/t17-,18- | PDB
Reactome pathway
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PubMed
| 19.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50382312
(CHEMBL2024677)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(Cl)cc(Cl)c2)CC1 |r,wU:6.5,wD:9.9,(6.35,-23.87,;7.68,-24.65,;7.68,-26.19,;9.02,-23.88,;9.02,-22.34,;10.35,-24.65,;11.68,-23.88,;11.68,-22.34,;13.01,-21.56,;14.34,-22.34,;15.68,-21.57,;17.01,-22.35,;18.34,-21.58,;19.67,-22.36,;21,-21.6,;21.01,-20.06,;19.68,-19.28,;18.34,-20.04,;22.35,-19.3,;23.68,-20.08,;25.02,-19.32,;26.35,-20.1,;25.03,-17.78,;23.69,-17,;23.7,-15.46,;22.36,-17.76,;14.34,-23.88,;13.01,-24.64,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-19-5-3-16(4-6-19)7-8-26-9-11-27(12-10-26)20-14-17(22)13-18(23)15-20/h13-16,19H,3-12H2,1-2H3,(H,24,28)/t16-,19- | PDB
Reactome pathway
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| 20.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50382307
(CHEMBL2024523)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2)CC1 |r,wU:6.5,wD:9.9,(24.62,.37,;25.95,-.4,;25.95,-1.94,;27.29,.37,;27.29,1.91,;28.62,-.41,;29.95,.37,;29.95,1.91,;31.28,2.68,;32.61,1.91,;33.95,2.67,;35.28,1.9,;36.61,2.66,;37.94,1.88,;39.27,2.64,;39.28,4.18,;37.95,4.96,;36.61,4.2,;40.62,4.95,;40.63,6.48,;41.96,7.24,;43.3,6.46,;43.29,4.92,;44.62,4.14,;41.95,4.16,;32.61,.37,;31.28,-.4,)| Show InChI InChI=1S/C21H33ClN4O/c1-24(2)21(27)23-19-8-6-17(7-9-19)10-11-25-12-14-26(15-13-25)20-5-3-4-18(22)16-20/h3-5,16-17,19H,6-15H2,1-2H3,(H,23,27)/t17-,19- | PDB
Reactome pathway
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| 53.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50382305
(CHEMBL2024521)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1 |r,wU:6.5,wD:9.9,(-10.22,-1.67,;-8.89,-2.44,;-8.89,-3.98,;-7.56,-1.67,;-7.56,-.13,;-6.22,-2.44,;-4.89,-1.67,;-4.89,-.13,;-3.56,.65,;-2.23,-.13,;-.9,.63,;.43,-.14,;1.77,.63,;3.09,-.15,;4.43,.61,;4.44,2.15,;3.11,2.92,;1.76,2.16,;5.78,2.91,;7.11,2.13,;8.44,2.88,;8.45,4.43,;7.12,5.21,;5.78,4.44,;-2.23,-1.67,;-3.56,-2.43,)| Show InChI InChI=1S/C21H34N4O/c1-23(2)21(26)22-19-10-8-18(9-11-19)12-13-24-14-16-25(17-15-24)20-6-4-3-5-7-20/h3-7,18-19H,8-17H2,1-2H3,(H,22,26)/t18-,19- | PDB
Reactome pathway
KEGG
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| 94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50382309
(CHEMBL2024525)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Cl)cc2Cl)CC1 |r,wU:6.5,wD:9.9,(3.15,-13.27,;4.48,-14.04,;4.48,-15.58,;5.81,-13.27,;5.81,-11.73,;7.15,-14.04,;8.48,-13.27,;8.48,-11.73,;9.81,-10.95,;11.14,-11.73,;12.47,-10.96,;13.8,-11.74,;15.14,-10.97,;16.46,-11.75,;17.8,-10.99,;17.81,-9.45,;16.48,-8.67,;15.13,-9.43,;19.15,-8.69,;19.15,-7.16,;20.49,-6.39,;21.82,-7.17,;23.16,-6.41,;21.81,-8.71,;20.48,-9.47,;20.46,-11.01,;11.14,-13.27,;9.81,-14.03,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-18-6-3-16(4-7-18)9-10-26-11-13-27(14-12-26)20-8-5-17(22)15-19(20)23/h5,8,15-16,18H,3-4,6-7,9-14H2,1-2H3,(H,24,28)/t16-,18- | PDB
Reactome pathway
KEGG
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| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50382311
(CHEMBL2024676)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)CC1 |r,wU:6.5,wD:9.9,(-8.97,-23.7,;-7.64,-24.48,;-7.64,-26.02,;-6.31,-23.71,;-6.3,-22.17,;-4.97,-24.48,;-3.64,-23.71,;-3.64,-22.17,;-2.31,-21.39,;-.98,-22.17,;.35,-21.4,;1.69,-22.17,;3.02,-21.41,;4.35,-22.19,;5.68,-21.43,;5.69,-19.89,;4.36,-19.11,;3.02,-19.87,;7.03,-19.13,;7.04,-17.59,;8.37,-16.83,;9.71,-17.61,;11.04,-16.85,;9.7,-19.15,;11.02,-19.93,;8.36,-19.91,;-.98,-23.71,;-2.31,-24.47,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-5-3-16(4-6-17)9-10-26-11-13-27(14-12-26)18-7-8-19(22)20(23)15-18/h7-8,15-17H,3-6,9-14H2,1-2H3,(H,24,28)/t16-,17- | PDB
Reactome pathway
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381276
(CHEMBL2018864)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1CCc2ccccc2C1CC(=O)Nc1ccc(cc1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C33H38Cl2N4O3S/c34-30-13-12-28(22-31(30)35)43(41,42)39-21-14-24-6-2-3-7-29(24)32(39)23-33(40)36-25-8-10-26(11-9-25)38-19-15-27(16-20-38)37-17-4-1-5-18-37/h2-3,6-13,22,27,32H,1,4-5,14-21,23H2,(H,36,40) | PDB
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| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381272
(CHEMBL2018862)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)NCCN2CCN(CC2)c2ccncc2)CCc2ccccc12 Show InChI InChI=1S/C28H31Cl2N5O3S/c29-25-8-7-24(20-26(25)30)39(37,38)35-23(6-5-21-3-1-2-4-27(21)35)19-28(36)32-13-14-33-15-17-34(18-16-33)22-9-11-31-12-10-22/h1-4,7-12,20,23H,5-6,13-19H2,(H,32,36) | PDB
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| 166 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50382308
(CHEMBL2024524)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Cl)cc2)CC1 |r,wU:6.5,wD:9.9,(-10.57,-12.75,;-9.23,-13.52,;-9.24,-15.06,;-7.9,-12.76,;-7.9,-11.22,;-6.57,-13.53,;-5.23,-12.76,;-5.23,-11.22,;-3.91,-10.44,;-2.58,-11.22,;-1.24,-10.45,;.09,-11.22,;1.43,-10.46,;2.75,-11.24,;4.08,-10.48,;4.1,-8.94,;2.77,-8.16,;1.42,-8.92,;5.44,-8.18,;6.76,-8.96,;8.1,-8.2,;8.11,-6.66,;9.45,-5.89,;6.77,-5.88,;5.44,-6.64,;-2.58,-12.76,;-3.91,-13.52,)| Show InChI InChI=1S/C21H33ClN4O/c1-24(2)21(27)23-19-7-3-17(4-8-19)11-12-25-13-15-26(16-14-25)20-9-5-18(22)6-10-20/h5-6,9-10,17,19H,3-4,7-8,11-16H2,1-2H3,(H,23,27)/t17-,19- | PDB
Reactome pathway
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| 392 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381282
(CHEMBL2018858)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)COc2ccccc12 |t:27| Show InChI InChI=1S/C27H26Cl2N4O4S/c28-22-10-9-21(16-23(22)29)38(35,36)33-20(17-37-25-4-2-1-3-24(25)33)15-26(34)30-12-11-18-5-7-19(8-6-18)27-31-13-14-32-27/h1-10,16,20H,11-15,17H2,(H,30,34)(H,31,32) | PDB
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| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381280
(CHEMBL2018860)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1Cc2ccccc2CC1CC(=O)NCCc1ccc(cc1)C1=NCCN1 |t:37| Show InChI InChI=1S/C28H28Cl2N4O3S/c29-25-10-9-24(17-26(25)30)38(36,37)34-18-22-4-2-1-3-21(22)15-23(34)16-27(35)31-12-11-19-5-7-20(8-6-19)28-32-13-14-33-28/h1-10,17,23H,11-16,18H2,(H,31,35)(H,32,33) | PDB
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| 481 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381278
(CHEMBL2016601)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)CCc2ccccc12 Show InChI InChI=1S/C33H38Cl2N4O3S/c34-30-15-14-29(23-31(30)35)43(41,42)39-28(11-8-24-6-2-3-7-32(24)39)22-33(40)36-25-9-12-26(13-10-25)38-20-16-27(17-21-38)37-18-4-1-5-19-37/h2-3,6-7,9-10,12-15,23,27-28H,1,4-5,8,11,16-22H2,(H,36,40) | PDB
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| 628 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50381283
(CHEMBL2018857)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)Nc2ccccc2)C(=O)Nc2ccccc12 Show InChI InChI=1S/C22H17Cl2N3O4S/c23-16-11-10-15(12-17(16)24)32(30,31)27-19-9-5-4-8-18(19)26-22(29)20(27)13-21(28)25-14-6-2-1-3-7-14/h1-12,20H,13H2,(H,25,28)(H,26,29) | PDB
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| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50219939
(CHEMBL240693 | N-((1r,4r)-4-(2-(4-(2,3-dichlorophe...)Show SMILES Clc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccnc3)CC2)c1Cl |wU:15.18,wD:12.11,(14.57,-10.28,;13.25,-9.5,;13.25,-7.96,;11.92,-7.19,;10.58,-7.96,;10.59,-9.49,;9.26,-10.25,;9.25,-11.79,;7.92,-12.55,;6.58,-11.78,;5.26,-12.55,;3.92,-11.78,;2.59,-12.55,;1.25,-11.78,;-.09,-12.55,;-.09,-14.1,;1.25,-14.87,;2.59,-14.1,;-1.42,-14.9,;-2.77,-14.14,;-3.53,-15.48,;-2,-12.8,;-4.1,-13.37,;-5.44,-14.14,;-6.77,-13.38,;-6.78,-11.83,;-5.43,-11.05,;-4.1,-11.83,;6.58,-10.25,;7.92,-9.48,;11.92,-10.27,;11.9,-11.81,)| Show InChI InChI=1S/C23H30Cl2N4O2S/c24-21-4-1-5-22(23(21)25)29-15-13-28(14-16-29)12-10-18-6-8-19(9-7-18)27-32(30,31)20-3-2-11-26-17-20/h1-5,11,17-19,27H,6-10,12-16H2/t18-,19- | KEGG
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 5340-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382302
(CHEMBL2024516)Show SMILES CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:5.4,wD:8.8,(-5.5,-6.61,;-4.16,-7.38,;-2.83,-6.61,;-2.83,-5.07,;-1.5,-7.38,;-.16,-6.61,;-.16,-5.07,;1.17,-4.29,;2.49,-5.07,;3.83,-4.31,;5.16,-5.08,;6.5,-4.31,;7.82,-5.09,;9.16,-4.33,;9.17,-2.79,;7.84,-2.01,;6.49,-2.78,;10.5,-2.02,;11.85,-2.77,;13.18,-1.97,;13.14,-.43,;11.8,.31,;11.77,1.85,;10.48,-.49,;9.13,.26,;2.49,-6.61,;1.17,-7.37,)| Show InChI InChI=1S/C21H31Cl2N3O/c1-2-20(27)24-17-8-6-16(7-9-17)10-11-25-12-14-26(15-13-25)19-5-3-4-18(22)21(19)23/h3-5,16-17H,2,6-15H2,1H3,(H,24,27)/t16-,17- | KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382300
(CHEMBL2024514)Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:4.3,wD:7.7,(-.69,-8.37,;.65,-7.6,;.65,-6.06,;1.98,-8.37,;3.31,-7.6,;3.31,-6.06,;4.64,-5.28,;5.97,-6.06,;7.31,-5.29,;8.64,-6.07,;9.97,-5.3,;11.3,-6.08,;12.63,-5.32,;12.64,-3.78,;11.31,-3,;9.97,-3.76,;13.98,-3.01,;15.32,-3.77,;16.65,-2.99,;16.64,-1.45,;15.3,-.7,;15.29,.84,;13.97,-1.47,;12.63,-.71,;5.97,-7.6,;4.64,-8.36,)| Show InChI InChI=1S/C20H29Cl2N3O/c1-15(26)23-17-7-5-16(6-8-17)9-10-24-11-13-25(14-12-24)19-4-2-3-18(21)20(19)22/h2-4,16-17H,5-14H2,1H3,(H,23,26)/t16-,17- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50219946
(CHEMBL391700 | N-((1r,4r)-4-(2-(4-(3-(trifluoromet...)Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2cccnc2)CC1 |wU:19.23,wD:16.16,(14.09,1.13,;12.77,1.89,;12,.57,;13.55,3.23,;11.44,2.67,;11.44,4.21,;10.11,4.98,;8.78,4.22,;8.79,2.69,;10.11,1.91,;7.45,1.92,;7.44,.38,;6.12,-.38,;4.78,.4,;3.45,-.37,;2.12,.39,;.78,-.38,;-.55,.39,;-1.89,-.38,;-1.89,-1.92,;-.55,-2.69,;.78,-1.92,;-3.22,-2.72,;-4.56,-1.97,;-5.32,-3.3,;-3.8,-.63,;-5.91,-1.2,;-7.23,-1.97,;-8.56,-1.2,;-8.57,.35,;-7.23,1.12,;-5.9,.35,;4.78,1.93,;6.12,2.69,)| Show InChI InChI=1S/C24H31F3N4O2S/c25-24(26,27)20-3-1-4-22(17-20)31-15-13-30(14-16-31)12-10-19-6-8-21(9-7-19)29-34(32,33)23-5-2-11-28-18-23/h1-5,11,17-19,21,29H,6-10,12-16H2/t19-,21- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 5340-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382304
(CHEMBL2024520)Show SMILES NC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)CC1 |r,wU:4.3,wD:7.7,(-1.68,-12.4,;-.35,-11.63,;-.35,-10.09,;.99,-12.4,;2.32,-11.63,;2.32,-10.09,;3.65,-9.31,;4.98,-10.09,;6.31,-9.32,;7.64,-10.1,;8.98,-9.33,;10.3,-10.11,;11.64,-9.35,;11.65,-7.81,;10.32,-7.03,;8.97,-7.79,;12.99,-7.05,;14.33,-7.82,;15.66,-7.05,;15.66,-5.52,;17,-4.76,;14.33,-4.74,;14.34,-3.2,;12.99,-5.51,;4.98,-11.63,;3.65,-12.39,)| Show InChI InChI=1S/C19H28Cl2N4O/c20-17-6-5-16(13-18(17)21)25-11-9-24(10-12-25)8-7-14-1-3-15(4-2-14)23-19(22)26/h5-6,13-15H,1-4,7-12H2,(H3,22,23,26)/t14-,15- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382313
(CHEMBL2024518)Show SMILES CCNC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-2.58,-11.25,;-1.25,-10.48,;-1.25,-8.94,;.09,-8.17,;.09,-6.63,;1.42,-8.95,;2.75,-8.17,;2.75,-6.63,;4.08,-5.86,;5.41,-6.63,;6.75,-5.87,;8.08,-6.64,;9.41,-5.88,;10.74,-6.66,;12.07,-5.9,;12.09,-4.36,;10.75,-3.58,;9.41,-4.34,;13.43,-3.56,;14.76,-4.34,;16.1,-3.56,;16.1,-2.01,;14.76,-1.25,;14.77,.29,;13.44,-2.02,;12.09,-1.24,;5.41,-8.17,;4.08,-8.94,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-2-24-21(28)25-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,2,6-15H2,1H3,(H2,24,25,28)/t16-,17- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50219943
(CHEMBL428910 | N-((1r,4r)-4-(2-(4-(3-cyano-5-(trif...)Show SMILES FC(F)(F)c1cc(cc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2cccnc2)CC1)C#N |wU:19.23,wD:16.16,(15,3.82,;15.01,2.27,;16.55,2.28,;13.47,2.26,;15.01,.73,;16.35,-.04,;16.34,-1.58,;15.01,-2.35,;13.68,-1.56,;13.68,-.03,;12.35,-2.33,;12.34,-3.87,;11.01,-4.63,;9.68,-3.85,;8.35,-4.62,;7.01,-3.85,;5.68,-4.62,;4.34,-3.84,;3,-4.62,;3,-6.17,;4.34,-6.94,;5.68,-6.17,;1.67,-6.94,;.34,-6.17,;-.44,-7.5,;1.11,-4.84,;-1,-5.39,;-.99,-3.84,;-2.32,-3.06,;-3.67,-3.83,;-3.67,-5.39,;-2.33,-6.16,;9.67,-2.32,;11.01,-1.55,;17.67,-2.36,;19,-3.14,)| Show InChI InChI=1S/C25H30F3N5O2S/c26-25(27,28)21-14-20(17-29)15-23(16-21)33-12-10-32(11-13-33)9-7-19-3-5-22(6-4-19)31-36(34,35)24-2-1-8-30-18-24/h1-2,8,14-16,18-19,22,31H,3-7,9-13H2/t19-,22- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 5340-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382299
(CHEMBL2024513)Show SMILES FC(F)(F)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:7.6,wD:10.10,(-3.18,-12.8,;-3.18,-11.26,;-4.51,-10.49,;-4.52,-12.02,;-1.84,-10.49,;-1.84,-8.95,;-.51,-11.26,;.82,-10.49,;.82,-8.95,;2.15,-8.17,;3.48,-8.95,;4.82,-8.19,;6.15,-8.96,;7.49,-8.19,;8.81,-8.97,;10.14,-8.21,;10.16,-6.67,;8.82,-5.9,;7.48,-6.66,;11.53,-5.97,;12.82,-6.81,;14.2,-6.1,;14.27,-4.57,;12.98,-3.74,;13.06,-2.2,;11.61,-4.44,;10.31,-3.6,;3.48,-10.49,;2.15,-11.25,)| Show InChI InChI=1S/C20H26Cl2F3N3O/c21-16-2-1-3-17(18(16)22)28-12-10-27(11-13-28)9-8-14-4-6-15(7-5-14)26-19(29)20(23,24)25/h1-3,14-15H,4-13H2,(H,26,29)/t14-,15- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382301
(CHEMBL2024515)Show SMILES CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:5.4,wD:8.8,(-1.04,-12.4,;.29,-11.63,;1.06,-10.3,;-.48,-10.29,;1.62,-12.4,;2.96,-11.63,;2.96,-10.09,;4.28,-9.31,;5.61,-10.09,;6.95,-9.32,;8.28,-10.1,;9.62,-9.33,;10.94,-10.11,;12.27,-9.35,;12.29,-7.81,;10.96,-7.03,;9.61,-7.79,;13.63,-7.05,;14.97,-7.79,;16.3,-6.99,;16.26,-5.45,;14.92,-4.72,;14.89,-3.18,;13.6,-5.51,;12.25,-4.76,;5.61,-11.63,;4.28,-12.39,)| Show InChI InChI=1S/C19H29Cl2N3O2S/c1-27(25,26)22-16-7-5-15(6-8-16)9-10-23-11-13-24(14-12-23)18-4-2-3-17(20)19(18)21/h2-4,15-16,22H,5-14H2,1H3/t15-,16- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50219940
(CHEMBL240271 | N-((1r,4r)-4-(2-(4-(3-(trifluoromet...)Show SMILES FC(F)(F)c1cccc(CC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3ccc(cc3)-n3cccn3)CC2)c1 |wU:19.22,wD:16.15,(19.92,-6.09,;18.59,-6.87,;19.37,-8.2,;17.82,-5.54,;17.26,-7.64,;17.26,-9.19,;15.92,-9.95,;14.6,-9.18,;14.61,-7.64,;13.28,-6.86,;11.94,-7.63,;11.94,-9.17,;10.6,-9.94,;9.27,-9.17,;7.94,-9.94,;6.6,-9.17,;5.27,-9.94,;3.93,-9.17,;2.6,-9.94,;2.6,-11.48,;3.93,-12.25,;5.27,-11.48,;1.26,-12.27,;-.09,-11.52,;-.86,-12.85,;.66,-10.17,;-1.44,-10.74,;-1.43,-9.19,;-2.76,-8.42,;-4.11,-9.19,;-4.1,-10.75,;-2.76,-11.51,;-5.44,-8.42,;-5.61,-6.89,;-7.11,-6.58,;-7.88,-7.91,;-6.85,-9.05,;9.27,-7.63,;10.61,-6.86,;15.93,-6.87,)| Show InChI InChI=1S/C30H37F3N4O2S/c31-30(32,33)26-4-1-3-25(22-26)21-24-14-19-36(20-15-24)18-13-23-5-7-27(8-6-23)35-40(38,39)29-11-9-28(10-12-29)37-17-2-16-34-37/h1-4,9-12,16-17,22-24,27,35H,5-8,13-15,18-21H2/t23-,27- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 5340-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50219944
(CHEMBL239847 | N-((1r,4r)-4-(2-(4-(4-bromo-2-metho...)Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Br)cc2OC)CC1 |wU:12.12,wD:15.16,(-10.86,-24,;-10.86,-25.54,;-9.52,-26.31,;-8.18,-25.54,;-6.84,-26.31,;-6.85,-27.85,;-8.18,-28.62,;-9.51,-27.86,;-5.5,-28.62,;-6.26,-29.97,;-4.75,-27.28,;-4.15,-29.39,;-2.81,-28.59,;-2.81,-27.05,;-1.47,-26.28,;-.14,-27.05,;1.19,-26.28,;2.53,-27.05,;3.86,-26.28,;5.2,-27.05,;6.52,-26.29,;6.53,-24.75,;5.2,-23.98,;3.85,-24.74,;7.86,-23.98,;7.86,-22.45,;9.19,-21.69,;10.52,-22.46,;11.86,-21.69,;10.52,-24,;9.19,-24.76,;9.18,-26.3,;7.84,-27.06,;-.14,-28.59,;-1.47,-29.36,)| Show InChI InChI=1S/C26H36BrN3O4S/c1-33-23-8-10-24(11-9-23)35(31,32)28-22-6-3-20(4-7-22)13-14-29-15-17-30(18-16-29)25-12-5-21(27)19-26(25)34-2/h5,8-12,19-20,22,28H,3-4,6-7,13-18H2,1-2H3/t20-,22- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 17: 5340-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.015
BindingDB Entry DOI: 10.7270/Q22F7N5G |
More data for this
Ligand-Target Pair | |
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