Found 34 hits of Enzyme Inhibition Constant Data 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
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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)) | 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)) | 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)) | 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 | |
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)) | BDBM50219947
(CHEMBL429093 | N-((1r,4r)-4-(2-(4-(3-cyanophenyl)p...)Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(c2)C#N)CC1 |wU:14.14,wD:17.18,(13.48,-24.82,;14.81,-24.05,;16.15,-24.81,;16.15,-26.36,;17.49,-27.13,;18.81,-26.36,;18.82,-24.82,;17.49,-24.04,;17.49,-22.5,;18.82,-21.74,;20.16,-27.13,;19.4,-28.47,;20.91,-25.79,;21.51,-27.9,;22.85,-27.1,;22.85,-25.55,;24.19,-24.78,;25.52,-25.55,;26.85,-24.78,;28.19,-25.55,;29.52,-24.78,;30.86,-25.56,;32.19,-24.79,;32.19,-23.25,;30.86,-22.48,;29.52,-23.25,;33.53,-22.49,;34.85,-23.27,;36.19,-22.51,;36.19,-20.96,;34.85,-20.19,;33.52,-20.96,;34.85,-18.65,;34.84,-17.12,;25.52,-27.1,;24.19,-27.87,)| Show InChI InChI=1S/C27H36N4O4S/c1-34-26-11-10-25(19-27(26)35-2)36(32,33)29-23-8-6-21(7-9-23)12-13-30-14-16-31(17-15-30)24-5-3-4-22(18-24)20-28/h3-5,10-11,18-19,21,23,29H,6-9,12-17H2,1-2H3/t21-,23- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | 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)) | BDBM50219945
(CHEMBL240273 | 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)c2ccc3NC(=O)CCc3c2)CC1)C#N |wU:19.23,wD:16.16,(25.61,-7.7,;24.27,-6.93,;23.5,-8.26,;25.05,-5.6,;22.95,-6.16,;22.95,-4.61,;21.6,-3.84,;20.28,-4.61,;20.29,-6.15,;21.6,-6.92,;18.95,-6.91,;18.94,-8.45,;17.61,-9.21,;16.28,-8.44,;14.94,-9.21,;13.61,-8.44,;12.28,-9.21,;10.94,-8.44,;9.61,-9.21,;9.61,-10.76,;10.94,-11.53,;12.28,-10.76,;8.26,-11.55,;6.9,-10.78,;6.14,-12.13,;7.66,-9.44,;5.57,-10.01,;4.24,-10.78,;2.9,-10.01,;2.9,-8.47,;1.57,-7.72,;1.56,-6.17,;.22,-5.4,;2.89,-5.4,;4.23,-6.17,;4.24,-7.7,;5.58,-8.47,;16.28,-6.9,;17.61,-6.14,;21.6,-2.3,;21.6,-.77,)| Show InChI InChI=1S/C29H34F3N5O3S/c30-29(31,32)23-15-21(19-33)16-25(18-23)37-13-11-36(12-14-37)10-9-20-1-4-24(5-2-20)35-41(39,40)26-6-7-27-22(17-26)3-8-28(38)34-27/h6-7,15-18,20,24,35H,1-5,8-14H2,(H,34,38)/t20-,24- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | 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)) | BDBM50219935
(CHEMBL392528 | N-[4-(4-{2-[4-(3-cyano-5-trifluorom...)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |wU:14.14,wD:17.18,(-6.61,2.92,;-7.95,2.15,;-9.28,2.92,;-7.95,.62,;-6.61,-.15,;-5.27,.62,;-3.93,-.15,;-3.94,-1.69,;-5.27,-2.46,;-6.61,-1.7,;-2.61,-2.47,;-3.37,-3.81,;-1.86,-1.13,;-1.25,-3.23,;.09,-2.44,;.09,-.89,;1.43,-.12,;2.76,-.89,;4.1,-.12,;5.42,-.89,;6.75,-.12,;8.09,-.89,;9.42,-.13,;9.42,1.41,;8.09,2.18,;6.75,1.42,;10.76,2.17,;10.76,3.7,;12.08,4.47,;13.42,3.7,;13.41,2.16,;12.08,1.39,;14.75,1.38,;16.07,.62,;13.97,.05,;15.53,2.71,;12.08,6.01,;12.07,7.54,;2.76,-2.44,;1.43,-3.2,)| Show InChI InChI=1S/C28H34F3N5O3S/c1-20(37)33-24-6-8-27(9-7-24)40(38,39)34-25-4-2-21(3-5-25)10-11-35-12-14-36(15-13-35)26-17-22(19-32)16-23(18-26)28(29,30)31/h6-9,16-18,21,25,34H,2-5,10-15H2,1H3,(H,33,37)/t21-,25- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | 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)) | BDBM50219949
(3-oxo-N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)pheno...)Show SMILES FC(F)(F)c1cccc(OC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3ccc4OCC(=O)Nc4c3)CC2)c1 |wU:19.22,wD:16.15,(24.03,-4.86,;22.7,-5.65,;23.47,-6.98,;21.92,-4.33,;21.37,-6.41,;21.37,-7.96,;20.03,-8.72,;18.71,-7.95,;18.72,-6.41,;17.39,-5.64,;16.06,-6.4,;16.05,-7.94,;14.72,-8.71,;13.39,-7.94,;12.07,-8.71,;10.72,-7.94,;9.4,-8.71,;8.07,-7.94,;6.73,-8.71,;6.73,-10.24,;8.07,-11.01,;9.4,-10.24,;5.4,-11.04,;4.04,-10.29,;3.28,-11.62,;4.79,-8.95,;2.7,-9.51,;1.38,-10.28,;.04,-9.52,;.03,-7.97,;-1.31,-7.2,;-1.31,-5.65,;.04,-4.87,;.04,-3.33,;1.38,-5.65,;1.38,-7.2,;2.7,-7.97,;13.39,-6.4,;14.73,-5.64,;20.03,-5.65,)| Show InChI InChI=1S/C28H34F3N3O5S/c29-28(30,31)20-2-1-3-23(16-20)39-22-11-14-34(15-12-22)13-10-19-4-6-21(7-5-19)33-40(36,37)24-8-9-26-25(17-24)32-27(35)18-38-26/h1-3,8-9,16-17,19,21-22,33H,4-7,10-15,18H2,(H,32,35)/t19-,21- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | 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)) | BDBM50219942
(CHEMBL240051 | N-((1r,4r)-4-(2-(4-(2,5-dichlorophe...)Show SMILES Fc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)Nc2cc(Cl)ccc2Cl)CC1 |wU:11.11,wD:14.15,(-11.09,3.77,;-9.76,3,;-8.41,3.77,;-7.08,3,;-7.08,1.45,;-8.41,.68,;-9.75,1.45,;-5.74,.68,;-6.5,-.65,;-4.99,2.02,;-4.38,-.08,;-3.04,.72,;-3.04,2.27,;-1.71,3.03,;-.37,2.27,;.96,3.04,;2.29,2.27,;3.63,3.04,;4.96,2.26,;6.29,3.02,;6.3,4.56,;4.96,5.34,;3.62,4.57,;7.63,5.33,;8.95,4.55,;10.28,5.32,;11.6,4.55,;12.94,5.32,;11.6,3.01,;10.27,2.24,;8.95,3.02,;7.6,2.26,;-.37,.72,;-1.71,-.05,)| Show InChI InChI=1S/C25H32Cl2FN3O2S/c26-19-3-10-24(27)25(17-19)29-21-12-15-31(16-13-21)14-11-18-1-6-22(7-2-18)30-34(32,33)23-8-4-20(28)5-9-23/h3-5,8-10,17-18,21-22,29-30H,1-2,6-7,11-16H2/t18-,22- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | 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)) | BDBM50219948
(CHEMBL236407 | 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)c3cc4ccccc4s3)CC2)c1 |wU:19.22,wD:16.15,(20.29,-30.36,;18.97,-31.13,;19.74,-32.47,;18.19,-29.8,;17.64,-31.9,;17.64,-33.45,;16.29,-34.21,;14.97,-33.44,;14.98,-31.9,;13.65,-31.13,;12.31,-31.9,;12.31,-33.44,;10.97,-34.2,;9.64,-33.43,;8.31,-34.2,;6.97,-33.43,;5.64,-34.2,;4.3,-33.43,;2.97,-34.2,;2.97,-35.75,;4.3,-36.52,;5.64,-35.75,;1.63,-36.54,;.28,-35.78,;-.48,-37.12,;1.05,-34.45,;-1.05,-35.01,;-1.22,-33.47,;-2.73,-33.15,;-3.5,-31.82,;-5.04,-31.82,;-5.81,-33.17,;-5.03,-34.49,;-3.5,-34.48,;-2.47,-35.63,;9.64,-31.89,;10.98,-31.13,;16.3,-31.13,)| Show InChI InChI=1S/C29H35F3N2O2S2/c30-29(31,32)25-6-3-4-23(19-25)18-22-13-16-34(17-14-22)15-12-21-8-10-26(11-9-21)33-38(35,36)28-20-24-5-1-2-7-27(24)37-28/h1-7,19-22,26,33H,8-18H2/t21-,26- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | 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)) | BDBM50219938
(CHEMBL391699 | N-((1r,4r)-4-(2-(4-(3-(trifluoromet...)Show SMILES FC(F)(F)c1cccc(OC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccnc3)CC2)c1 |wU:19.22,wD:16.15,(22.97,-37.44,;21.64,-38.22,;22.41,-39.55,;20.86,-36.89,;20.31,-38.99,;20.31,-40.54,;18.98,-41.3,;17.64,-40.53,;17.66,-38.99,;16.33,-38.22,;15,-38.98,;14.99,-40.52,;13.66,-41.28,;12.33,-40.51,;11,-41.28,;9.67,-40.51,;8.33,-41.28,;7,-40.51,;5.66,-41.28,;5.66,-42.83,;7,-43.59,;8.33,-42.83,;4.33,-43.62,;2.97,-42.86,;3.55,-41.44,;2.38,-44.28,;1.48,-42.45,;1.09,-40.95,;-.4,-40.55,;-1.5,-41.63,;-1.09,-43.13,;.39,-43.54,;12.32,-38.98,;13.67,-38.21,;18.98,-38.23,)| Show InChI InChI=1S/C25H32F3N3O3S/c26-25(27,28)20-3-1-4-23(17-20)34-22-11-15-31(16-12-22)14-10-19-6-8-21(9-7-19)30-35(32,33)24-5-2-13-29-18-24/h1-5,13,17-19,21-22,30H,6-12,14-16H2/t19-,21- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | 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)) | BDBM50219937
(4-chloro-N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)ph...)Show SMILES FC(F)(F)c1cccc(NC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 |wU:19.22,wD:16.15,(13.27,-8.06,;11.94,-8.84,;12.72,-10.18,;11.17,-7.51,;10.61,-9.61,;10.61,-11.16,;9.27,-11.92,;7.94,-11.15,;7.95,-9.61,;6.63,-8.84,;5.28,-9.6,;5.28,-11.14,;3.95,-11.91,;2.62,-11.14,;1.28,-11.91,;-.05,-11.14,;-1.39,-11.91,;-2.72,-11.14,;-4.06,-11.91,;-4.06,-13.45,;-2.72,-14.22,;-1.39,-13.45,;-5.4,-14.25,;-6.76,-13.49,;-7.52,-14.82,;-6.01,-12.15,;-8.09,-12.71,;-8.1,-11.16,;-9.44,-10.39,;-10.78,-11.16,;-12.11,-10.39,;-10.77,-12.72,;-9.44,-13.48,;2.62,-9.6,;3.95,-8.84,;9.28,-8.84,)| Show InChI InChI=1S/C26H33ClF3N3O2S/c27-21-6-10-25(11-7-21)36(34,35)32-23-8-4-19(5-9-23)12-15-33-16-13-22(14-17-33)31-24-3-1-2-20(18-24)26(28,29)30/h1-3,6-7,10-11,18-19,22-23,31-32H,4-5,8-9,12-17H2/t19-,23- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | 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)) | BDBM50219936
(4-bromo-N-((1r,4r)-4-(2-(4-(3-cyano-5-(trifluorome...)Show SMILES FC(F)(F)c1cc(cc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2ccc(Br)cc2)CC1)C#N |wU:19.23,wD:16.16,(40.83,-11.4,;39.5,-10.63,;38.73,-11.96,;40.28,-9.3,;38.17,-9.85,;38.18,-8.31,;36.83,-7.54,;35.51,-8.31,;35.52,-9.84,;36.83,-10.62,;34.18,-10.6,;34.18,-12.14,;32.84,-12.9,;31.51,-12.13,;30.17,-12.9,;28.85,-12.13,;27.52,-12.9,;26.18,-12.13,;24.84,-12.9,;24.84,-14.45,;26.18,-15.22,;27.52,-14.45,;23.5,-15.24,;22.14,-14.48,;21.38,-15.82,;22.9,-13.14,;20.81,-13.7,;20.81,-12.16,;19.48,-11.39,;18.14,-12.16,;16.81,-11.39,;18.14,-13.71,;19.47,-14.47,;31.51,-10.59,;32.85,-9.83,;36.83,-6,;36.83,-4.47,)| Show InChI InChI=1S/C26H30BrF3N4O2S/c27-22-3-7-25(8-4-22)37(35,36)32-23-5-1-19(2-6-23)9-10-33-11-13-34(14-12-33)24-16-20(18-31)15-21(17-24)26(28,29)30/h3-4,7-8,15-17,19,23,32H,1-2,5-6,9-14H2/t19-,23- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | 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)) | BDBM50219934
(CHEMBL399833 | 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(Cl)cc3)CC2)c1 |wU:19.22,wD:16.15,(43.36,5.75,;42.04,4.97,;42.81,3.63,;41.26,6.29,;40.7,4.2,;40.7,2.65,;39.37,1.88,;38.03,2.66,;38.05,4.2,;36.72,4.97,;35.38,4.21,;35.37,2.67,;34.05,1.9,;32.71,2.67,;31.38,1.9,;30.05,2.67,;28.71,1.9,;27.37,2.67,;26.04,1.9,;26.04,.36,;27.37,-.41,;28.71,.36,;24.69,-.44,;23.34,.32,;22.58,-1.01,;24.09,1.66,;22,1.09,;22.01,2.64,;20.67,3.42,;19.33,2.65,;18,3.41,;19.33,1.09,;20.67,.32,;32.71,4.21,;34.05,4.97,;39.37,4.96,)| Show InChI InChI=1S/C27H34ClF3N2O2S/c28-24-6-10-26(11-7-24)36(34,35)32-25-8-4-20(5-9-25)12-15-33-16-13-21(14-17-33)18-22-2-1-3-23(19-22)27(29,30)31/h1-3,6-7,10-11,19-21,25,32H,4-5,8-9,12-18H2/t20-,25- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80 | 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(2) 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- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | 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 dopamine D2 receptor in rat striatal membranes |
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)) | BDBM50219941
(CHEMBL240909 | N-((1r,4r)-4-(2-(4-(3-cyano-5-(trif...)Show SMILES Cc1ccc(cn1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |wU:11.11,wD:14.15,(-4.97,-20.83,;-3.63,-21.59,;-3.63,-23.15,;-2.29,-23.91,;-.96,-23.14,;-.95,-21.59,;-2.29,-20.83,;.38,-23.91,;-.38,-25.26,;1.14,-22.58,;1.72,-24.68,;3.06,-23.88,;3.06,-22.33,;4.4,-21.56,;5.73,-22.33,;7.07,-21.56,;8.4,-22.33,;9.74,-21.56,;11.07,-22.33,;12.39,-21.57,;12.4,-20.03,;11.07,-19.26,;9.73,-20.02,;13.74,-19.26,;13.74,-17.73,;15.06,-16.96,;16.41,-17.74,;16.4,-19.28,;15.06,-20.04,;17.73,-20.06,;19.06,-20.82,;16.96,-21.38,;18.51,-18.72,;15.06,-15.42,;15.05,-13.89,;5.73,-23.88,;4.4,-24.65,)| Show InChI InChI=1S/C26H32F3N5O2S/c1-19-2-7-25(18-31-19)37(35,36)32-23-5-3-20(4-6-23)8-9-33-10-12-34(13-11-33)24-15-21(17-30)14-22(16-24)26(27,28)29/h2,7,14-16,18,20,23,32H,3-6,8-13H2,1H3/t20-,23- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | 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(2) 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- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.30 | 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 dopamine D2 receptor in rat striatal membranes |
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(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50219949
(3-oxo-N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)pheno...)Show SMILES FC(F)(F)c1cccc(OC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3ccc4OCC(=O)Nc4c3)CC2)c1 |wU:19.22,wD:16.15,(24.03,-4.86,;22.7,-5.65,;23.47,-6.98,;21.92,-4.33,;21.37,-6.41,;21.37,-7.96,;20.03,-8.72,;18.71,-7.95,;18.72,-6.41,;17.39,-5.64,;16.06,-6.4,;16.05,-7.94,;14.72,-8.71,;13.39,-7.94,;12.07,-8.71,;10.72,-7.94,;9.4,-8.71,;8.07,-7.94,;6.73,-8.71,;6.73,-10.24,;8.07,-11.01,;9.4,-10.24,;5.4,-11.04,;4.04,-10.29,;3.28,-11.62,;4.79,-8.95,;2.7,-9.51,;1.38,-10.28,;.04,-9.52,;.03,-7.97,;-1.31,-7.2,;-1.31,-5.65,;.04,-4.87,;.04,-3.33,;1.38,-5.65,;1.38,-7.2,;2.7,-7.97,;13.39,-6.4,;14.73,-5.64,;20.03,-5.65,)| Show InChI InChI=1S/C28H34F3N3O5S/c29-28(30,31)20-2-1-3-23(16-20)39-22-11-14-34(15-12-22)13-10-19-4-6-21(7-5-19)33-40(36,37)24-8-9-26-25(17-24)32-27(35)18-38-26/h1-3,8-9,16-17,19,21-22,33H,4-7,10-15,18H2,(H,32,35)/t19-,21- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30 | 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 dopamine D2 receptor in rat striatal membranes |
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)) | BDBM50219950
(3-cyano-N-((1r,4r)-4-(2-(4-(3-cyano-5-(trifluorome...)Show SMILES FC(F)(F)c1cc(cc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2cccc(c2)C#N)CC1)C#N |wU:19.23,wD:16.16,(20.94,-42.03,;19.62,-41.26,;18.85,-42.59,;20.4,-39.93,;18.29,-40.49,;18.29,-38.95,;16.96,-38.17,;15.63,-38.94,;15.63,-40.47,;16.95,-41.25,;14.29,-41.24,;14.29,-42.78,;12.96,-43.54,;11.62,-42.76,;10.29,-43.53,;8.95,-42.76,;7.63,-43.53,;6.29,-42.77,;4.95,-43.53,;4.95,-45.08,;6.29,-45.85,;7.63,-45.08,;3.61,-45.88,;2.26,-45.11,;1.5,-46.46,;3.01,-43.77,;.91,-44.34,;-.41,-45.11,;-1.74,-44.34,;-1.75,-42.8,;-.41,-42.03,;.92,-42.8,;-.41,-40.49,;-.41,-38.94,;11.62,-41.23,;12.97,-40.46,;16.95,-36.63,;16.95,-35.1,)| Show InChI InChI=1S/C27H30F3N5O2S/c28-27(29,30)23-14-22(19-32)15-25(17-23)35-12-10-34(11-13-35)9-8-20-4-6-24(7-5-20)33-38(36,37)26-3-1-2-21(16-26)18-31/h1-3,14-17,20,24,33H,4-13H2/t20-,24- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80 | 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(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50219942
(CHEMBL240051 | N-((1r,4r)-4-(2-(4-(2,5-dichlorophe...)Show SMILES Fc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)Nc2cc(Cl)ccc2Cl)CC1 |wU:11.11,wD:14.15,(-11.09,3.77,;-9.76,3,;-8.41,3.77,;-7.08,3,;-7.08,1.45,;-8.41,.68,;-9.75,1.45,;-5.74,.68,;-6.5,-.65,;-4.99,2.02,;-4.38,-.08,;-3.04,.72,;-3.04,2.27,;-1.71,3.03,;-.37,2.27,;.96,3.04,;2.29,2.27,;3.63,3.04,;4.96,2.26,;6.29,3.02,;6.3,4.56,;4.96,5.34,;3.62,4.57,;7.63,5.33,;8.95,4.55,;10.28,5.32,;11.6,4.55,;12.94,5.32,;11.6,3.01,;10.27,2.24,;8.95,3.02,;7.6,2.26,;-.37,.72,;-1.71,-.05,)| Show InChI InChI=1S/C25H32Cl2FN3O2S/c26-19-3-10-24(27)25(17-19)29-21-12-15-31(16-13-21)14-11-18-1-6-22(7-2-18)30-34(32,33)23-8-4-20(28)5-9-23/h3-5,8-10,17-18,21-22,29-30H,1-2,6-7,11-16H2/t18-,22- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | 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 dopamine D2 receptor in rat striatal membranes |
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(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50219937
(4-chloro-N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)ph...)Show SMILES FC(F)(F)c1cccc(NC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 |wU:19.22,wD:16.15,(13.27,-8.06,;11.94,-8.84,;12.72,-10.18,;11.17,-7.51,;10.61,-9.61,;10.61,-11.16,;9.27,-11.92,;7.94,-11.15,;7.95,-9.61,;6.63,-8.84,;5.28,-9.6,;5.28,-11.14,;3.95,-11.91,;2.62,-11.14,;1.28,-11.91,;-.05,-11.14,;-1.39,-11.91,;-2.72,-11.14,;-4.06,-11.91,;-4.06,-13.45,;-2.72,-14.22,;-1.39,-13.45,;-5.4,-14.25,;-6.76,-13.49,;-7.52,-14.82,;-6.01,-12.15,;-8.09,-12.71,;-8.1,-11.16,;-9.44,-10.39,;-10.78,-11.16,;-12.11,-10.39,;-10.77,-12.72,;-9.44,-13.48,;2.62,-9.6,;3.95,-8.84,;9.28,-8.84,)| Show InChI InChI=1S/C26H33ClF3N3O2S/c27-21-6-10-25(11-7-21)36(34,35)32-23-8-4-19(5-9-23)12-15-33-16-13-22(14-17-33)31-24-3-1-2-20(18-24)26(28,29)30/h1-3,6-7,10-11,18-19,22-23,31-32H,4-5,8-9,12-17H2/t19-,23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | 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 dopamine D2 receptor in rat striatal membranes |
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(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50219950
(3-cyano-N-((1r,4r)-4-(2-(4-(3-cyano-5-(trifluorome...)Show SMILES FC(F)(F)c1cc(cc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2cccc(c2)C#N)CC1)C#N |wU:19.23,wD:16.16,(20.94,-42.03,;19.62,-41.26,;18.85,-42.59,;20.4,-39.93,;18.29,-40.49,;18.29,-38.95,;16.96,-38.17,;15.63,-38.94,;15.63,-40.47,;16.95,-41.25,;14.29,-41.24,;14.29,-42.78,;12.96,-43.54,;11.62,-42.76,;10.29,-43.53,;8.95,-42.76,;7.63,-43.53,;6.29,-42.77,;4.95,-43.53,;4.95,-45.08,;6.29,-45.85,;7.63,-45.08,;3.61,-45.88,;2.26,-45.11,;1.5,-46.46,;3.01,-43.77,;.91,-44.34,;-.41,-45.11,;-1.74,-44.34,;-1.75,-42.8,;-.41,-42.03,;.92,-42.8,;-.41,-40.49,;-.41,-38.94,;11.62,-41.23,;12.97,-40.46,;16.95,-36.63,;16.95,-35.1,)| Show InChI InChI=1S/C27H30F3N5O2S/c28-27(29,30)23-14-22(19-32)15-25(17-23)35-12-10-34(11-13-35)9-8-20-4-6-24(7-5-20)33-38(36,37)26-3-1-2-21(16-26)18-31/h1-3,14-17,20,24,33H,4-13H2/t20-,24- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | 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 dopamine D2 receptor in rat striatal membranes |
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(2) 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- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | 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 dopamine D2 receptor in rat striatal membranes |
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(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50219936
(4-bromo-N-((1r,4r)-4-(2-(4-(3-cyano-5-(trifluorome...)Show SMILES FC(F)(F)c1cc(cc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2ccc(Br)cc2)CC1)C#N |wU:19.23,wD:16.16,(40.83,-11.4,;39.5,-10.63,;38.73,-11.96,;40.28,-9.3,;38.17,-9.85,;38.18,-8.31,;36.83,-7.54,;35.51,-8.31,;35.52,-9.84,;36.83,-10.62,;34.18,-10.6,;34.18,-12.14,;32.84,-12.9,;31.51,-12.13,;30.17,-12.9,;28.85,-12.13,;27.52,-12.9,;26.18,-12.13,;24.84,-12.9,;24.84,-14.45,;26.18,-15.22,;27.52,-14.45,;23.5,-15.24,;22.14,-14.48,;21.38,-15.82,;22.9,-13.14,;20.81,-13.7,;20.81,-12.16,;19.48,-11.39,;18.14,-12.16,;16.81,-11.39,;18.14,-13.71,;19.47,-14.47,;31.51,-10.59,;32.85,-9.83,;36.83,-6,;36.83,-4.47,)| Show InChI InChI=1S/C26H30BrF3N4O2S/c27-22-3-7-25(8-4-22)37(35,36)32-23-5-1-19(2-6-23)9-10-33-11-13-34(14-12-33)24-16-20(18-31)15-21(17-24)26(28,29)30/h3-4,7-8,15-17,19,23,32H,1-2,5-6,9-14H2/t19-,23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | 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 dopamine D2 receptor in rat striatal membranes |
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(2) 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- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | 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 dopamine D2 receptor in rat striatal membranes |
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(2) 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- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | 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 dopamine D2 receptor in rat striatal membranes |
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(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50219945
(CHEMBL240273 | 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)c2ccc3NC(=O)CCc3c2)CC1)C#N |wU:19.23,wD:16.16,(25.61,-7.7,;24.27,-6.93,;23.5,-8.26,;25.05,-5.6,;22.95,-6.16,;22.95,-4.61,;21.6,-3.84,;20.28,-4.61,;20.29,-6.15,;21.6,-6.92,;18.95,-6.91,;18.94,-8.45,;17.61,-9.21,;16.28,-8.44,;14.94,-9.21,;13.61,-8.44,;12.28,-9.21,;10.94,-8.44,;9.61,-9.21,;9.61,-10.76,;10.94,-11.53,;12.28,-10.76,;8.26,-11.55,;6.9,-10.78,;6.14,-12.13,;7.66,-9.44,;5.57,-10.01,;4.24,-10.78,;2.9,-10.01,;2.9,-8.47,;1.57,-7.72,;1.56,-6.17,;.22,-5.4,;2.89,-5.4,;4.23,-6.17,;4.24,-7.7,;5.58,-8.47,;16.28,-6.9,;17.61,-6.14,;21.6,-2.3,;21.6,-.77,)| Show InChI InChI=1S/C29H34F3N5O3S/c30-29(31,32)23-15-21(19-33)16-25(18-23)37-13-11-36(12-14-37)10-9-20-1-4-24(5-2-20)35-41(39,40)26-6-7-27-22(17-26)3-8-28(38)34-27/h6-7,15-18,20,24,35H,1-5,8-14H2,(H,34,38)/t20-,24- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | 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 dopamine D2 receptor in rat striatal membranes |
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(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50219935
(CHEMBL392528 | N-[4-(4-{2-[4-(3-cyano-5-trifluorom...)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |wU:14.14,wD:17.18,(-6.61,2.92,;-7.95,2.15,;-9.28,2.92,;-7.95,.62,;-6.61,-.15,;-5.27,.62,;-3.93,-.15,;-3.94,-1.69,;-5.27,-2.46,;-6.61,-1.7,;-2.61,-2.47,;-3.37,-3.81,;-1.86,-1.13,;-1.25,-3.23,;.09,-2.44,;.09,-.89,;1.43,-.12,;2.76,-.89,;4.1,-.12,;5.42,-.89,;6.75,-.12,;8.09,-.89,;9.42,-.13,;9.42,1.41,;8.09,2.18,;6.75,1.42,;10.76,2.17,;10.76,3.7,;12.08,4.47,;13.42,3.7,;13.41,2.16,;12.08,1.39,;14.75,1.38,;16.07,.62,;13.97,.05,;15.53,2.71,;12.08,6.01,;12.07,7.54,;2.76,-2.44,;1.43,-3.2,)| Show InChI InChI=1S/C28H34F3N5O3S/c1-20(37)33-24-6-8-27(9-7-24)40(38,39)34-25-4-2-21(3-5-25)10-11-35-12-14-36(15-13-35)26-17-22(19-32)16-23(18-26)28(29,30)31/h6-9,16-18,21,25,34H,2-5,10-15H2,1H3,(H,33,37)/t21-,25- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | 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 dopamine D2 receptor in rat striatal membranes |
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(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50219941
(CHEMBL240909 | N-((1r,4r)-4-(2-(4-(3-cyano-5-(trif...)Show SMILES Cc1ccc(cn1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |wU:11.11,wD:14.15,(-4.97,-20.83,;-3.63,-21.59,;-3.63,-23.15,;-2.29,-23.91,;-.96,-23.14,;-.95,-21.59,;-2.29,-20.83,;.38,-23.91,;-.38,-25.26,;1.14,-22.58,;1.72,-24.68,;3.06,-23.88,;3.06,-22.33,;4.4,-21.56,;5.73,-22.33,;7.07,-21.56,;8.4,-22.33,;9.74,-21.56,;11.07,-22.33,;12.39,-21.57,;12.4,-20.03,;11.07,-19.26,;9.73,-20.02,;13.74,-19.26,;13.74,-17.73,;15.06,-16.96,;16.41,-17.74,;16.4,-19.28,;15.06,-20.04,;17.73,-20.06,;19.06,-20.82,;16.96,-21.38,;18.51,-18.72,;15.06,-15.42,;15.05,-13.89,;5.73,-23.88,;4.4,-24.65,)| Show InChI InChI=1S/C26H32F3N5O2S/c1-19-2-7-25(18-31-19)37(35,36)32-23-5-3-20(4-6-23)8-9-33-10-12-34(13-11-33)24-15-21(17-30)14-22(16-24)26(27,28)29/h2,7,14-16,18,20,23,32H,3-6,8-13H2,1H3/t20-,23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | 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 dopamine D2 receptor in rat striatal membranes |
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(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50219934
(CHEMBL399833 | 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(Cl)cc3)CC2)c1 |wU:19.22,wD:16.15,(43.36,5.75,;42.04,4.97,;42.81,3.63,;41.26,6.29,;40.7,4.2,;40.7,2.65,;39.37,1.88,;38.03,2.66,;38.05,4.2,;36.72,4.97,;35.38,4.21,;35.37,2.67,;34.05,1.9,;32.71,2.67,;31.38,1.9,;30.05,2.67,;28.71,1.9,;27.37,2.67,;26.04,1.9,;26.04,.36,;27.37,-.41,;28.71,.36,;24.69,-.44,;23.34,.32,;22.58,-1.01,;24.09,1.66,;22,1.09,;22.01,2.64,;20.67,3.42,;19.33,2.65,;18,3.41,;19.33,1.09,;20.67,.32,;32.71,4.21,;34.05,4.97,;39.37,4.96,)| Show InChI InChI=1S/C27H34ClF3N2O2S/c28-24-6-10-26(11-7-24)36(34,35)32-25-8-4-20(5-9-25)12-15-33-16-13-21(14-17-33)18-22-2-1-3-23(19-22)27(29,30)31/h1-3,6-7,10-11,19-21,25,32H,4-5,8-9,12-18H2/t20-,25- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | 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 dopamine D2 receptor in rat striatal membranes |
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(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50219947
(CHEMBL429093 | N-((1r,4r)-4-(2-(4-(3-cyanophenyl)p...)Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(c2)C#N)CC1 |wU:14.14,wD:17.18,(13.48,-24.82,;14.81,-24.05,;16.15,-24.81,;16.15,-26.36,;17.49,-27.13,;18.81,-26.36,;18.82,-24.82,;17.49,-24.04,;17.49,-22.5,;18.82,-21.74,;20.16,-27.13,;19.4,-28.47,;20.91,-25.79,;21.51,-27.9,;22.85,-27.1,;22.85,-25.55,;24.19,-24.78,;25.52,-25.55,;26.85,-24.78,;28.19,-25.55,;29.52,-24.78,;30.86,-25.56,;32.19,-24.79,;32.19,-23.25,;30.86,-22.48,;29.52,-23.25,;33.53,-22.49,;34.85,-23.27,;36.19,-22.51,;36.19,-20.96,;34.85,-20.19,;33.52,-20.96,;34.85,-18.65,;34.84,-17.12,;25.52,-27.1,;24.19,-27.87,)| Show InChI InChI=1S/C27H36N4O4S/c1-34-26-11-10-25(19-27(26)35-2)36(32,33)29-23-8-6-21(7-9-23)12-13-30-14-16-31(17-15-30)24-5-3-4-22(18-24)20-28/h3-5,10-11,18-19,21,23,29H,6-9,12-17H2,1-2H3/t21-,23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 57 | 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 dopamine D2 receptor in rat striatal membranes |
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(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50219938
(CHEMBL391699 | N-((1r,4r)-4-(2-(4-(3-(trifluoromet...)Show SMILES FC(F)(F)c1cccc(OC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccnc3)CC2)c1 |wU:19.22,wD:16.15,(22.97,-37.44,;21.64,-38.22,;22.41,-39.55,;20.86,-36.89,;20.31,-38.99,;20.31,-40.54,;18.98,-41.3,;17.64,-40.53,;17.66,-38.99,;16.33,-38.22,;15,-38.98,;14.99,-40.52,;13.66,-41.28,;12.33,-40.51,;11,-41.28,;9.67,-40.51,;8.33,-41.28,;7,-40.51,;5.66,-41.28,;5.66,-42.83,;7,-43.59,;8.33,-42.83,;4.33,-43.62,;2.97,-42.86,;3.55,-41.44,;2.38,-44.28,;1.48,-42.45,;1.09,-40.95,;-.4,-40.55,;-1.5,-41.63,;-1.09,-43.13,;.39,-43.54,;12.32,-38.98,;13.67,-38.21,;18.98,-38.23,)| Show InChI InChI=1S/C25H32F3N3O3S/c26-25(27,28)20-3-1-4-23(17-20)34-22-11-15-31(16-12-22)14-10-19-6-8-21(9-7-19)30-35(32,33)24-5-2-13-29-18-24/h1-5,13,17-19,21-22,30H,6-12,14-16H2/t19-,21- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 66 | 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 dopamine D2 receptor in rat striatal membranes |
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(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50219948
(CHEMBL236407 | 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)c3cc4ccccc4s3)CC2)c1 |wU:19.22,wD:16.15,(20.29,-30.36,;18.97,-31.13,;19.74,-32.47,;18.19,-29.8,;17.64,-31.9,;17.64,-33.45,;16.29,-34.21,;14.97,-33.44,;14.98,-31.9,;13.65,-31.13,;12.31,-31.9,;12.31,-33.44,;10.97,-34.2,;9.64,-33.43,;8.31,-34.2,;6.97,-33.43,;5.64,-34.2,;4.3,-33.43,;2.97,-34.2,;2.97,-35.75,;4.3,-36.52,;5.64,-35.75,;1.63,-36.54,;.28,-35.78,;-.48,-37.12,;1.05,-34.45,;-1.05,-35.01,;-1.22,-33.47,;-2.73,-33.15,;-3.5,-31.82,;-5.04,-31.82,;-5.81,-33.17,;-5.03,-34.49,;-3.5,-34.48,;-2.47,-35.63,;9.64,-31.89,;10.98,-31.13,;16.3,-31.13,)| Show InChI InChI=1S/C29H35F3N2O2S2/c30-29(31,32)25-6-3-4-23(19-25)18-22-13-16-34(17-14-22)15-12-21-8-10-26(11-9-21)33-38(35,36)28-20-24-5-1-2-7-27(24)37-28/h1-7,19-22,26,33H,8-18H2/t21-,26- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 91 | 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 dopamine D2 receptor in rat striatal membranes |
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 | |
Search and Browse
