Found 6660 hits of ki for UniProtKB: P35462 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476758
(US10870660, Compound III-024 | US11345716, Compoun...)Show SMILES CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)C1=O |r,wU:15.16,wD:12.12,(12.04,-1.54,;11.27,-.21,;9.74,-.05,;9.42,1.46,;10.75,2.23,;10.75,3.77,;9.42,4.54,;8.09,3.77,;8.09,2.23,;6.75,1.46,;6.75,-.08,;5.42,2.23,;4.08,1.46,;2.75,2.23,;1.42,1.46,;1.42,-.08,;.08,-.85,;-1.25,-.08,;-2.58,-.85,;-2.47,-2.39,;-3.6,-3.43,;-5.12,-3.21,;-5.89,-4.54,;-7.43,-4.54,;-8.2,-3.21,;-9.74,-3.21,;-10.51,-1.87,;-12.05,-1.87,;-12.82,-.54,;-12.05,-3.41,;-13.38,-2.64,;-7.43,-1.87,;-5.89,-1.87,;-5.33,-.44,;-3.86,.02,;2.75,-.85,;4.08,-.08,;11.9,1.2,;13.38,1.6,)| Show InChI InChI=1S/C30H38F2N4O3/c1-30(31,32)19-39-27-11-8-21-13-16-36(17-14-26(21)34-27)15-12-20-6-9-22(10-7-20)33-28(37)23-4-3-5-24-25(23)18-35(2)29(24)38/h3-5,8,11,20,22H,6-7,9-10,12-19H2,1-2H3,(H,33,37)/t20-,22- | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476918
(US10870660, Compound II-057)Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)F)nc3CC2)CC1 |r,wU:16.18,wD:13.14,(12.43,-1.54,;11.66,-.21,;10.13,-.05,;9.81,1.46,;8.48,2.23,;8.48,3.77,;9.81,4.54,;11.14,3.77,;11.14,2.23,;12.29,1.2,;7.14,1.46,;7.14,-.08,;5.81,2.23,;4.47,1.46,;3.14,2.23,;1.81,1.46,;1.81,-.08,;.47,-.85,;-.86,-.08,;-2.19,-.85,;-2.08,-2.39,;-3.21,-3.43,;-4.73,-3.21,;-5.5,-4.54,;-7.04,-4.54,;-7.81,-3.21,;-9.35,-3.21,;-10.12,-1.87,;-11.66,-1.87,;-12.43,-.54,;-12.43,-3.21,;-7.04,-1.87,;-5.5,-1.87,;-4.94,-.44,;-3.47,.02,;3.14,-.85,;4.47,-.08,)| Show InChI InChI=1S/C28H35F2N5O2/c1-34-17-23-22(3-2-4-25(23)33-34)28(36)31-21-8-5-19(6-9-21)11-14-35-15-12-20-7-10-27(37-18-26(29)30)32-24(20)13-16-35/h2-4,7,10,17,19,21,26H,5-6,8-9,11-16,18H2,1H3,(H,31,36)/t19-,21- | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50290221
(CHEMBL80919 | Thiophene-2-carboxylic acid (4-{2-[4...)Show SMILES Clc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccs3)CC2)c1Cl |wU:12.11,wD:15.18,(20.53,-4.53,;19.79,-5.88,;20.6,-7.19,;19.85,-8.55,;18.31,-8.59,;17.52,-7.26,;15.98,-7.29,;15.24,-8.63,;13.7,-8.66,;12.91,-7.36,;11.37,-7.38,;10.6,-8.73,;9.06,-8.73,;8.29,-10.06,;6.75,-10.06,;5.98,-8.73,;6.74,-7.4,;8.28,-7.4,;4.44,-8.75,;3.67,-10.08,;2.13,-10.09,;4.44,-11.41,;5.98,-11.49,;5.83,-14.15,;4.3,-14.05,;3.59,-12.7,;13.66,-6,;15.2,-5.98,;18.25,-5.91,;17.46,-4.6,)| Show InChI InChI=1S/C23H29Cl2N3OS/c24-19-3-1-4-20(22(19)25)28-14-12-27(13-15-28)11-10-17-6-8-18(9-7-17)26-23(29)21-5-2-16-30-21/h1-5,16-18H,6-15H2,(H,26,29)/t17-,18- | PDB
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TBA
Curated by ChEMBL
| Assay Description
Ability to displace radioligand [3H]N-0437 from human dopamine D2 receptor transfected chinese hamster ovary cell membranes. |
Bioorg Med Chem Lett 7: 2403-2408 (1997)
Article DOI: 10.1016/S0960-894X(97)00443-5
BindingDB Entry DOI: 10.7270/Q27W6CQ0 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50063292
(CHEMBL349426 | {4-[2-(4-Phenyl-piperazin-1-yl)-eth...)Show SMILES C(CN1CCN(CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccccc12 |wU:17.22,wD:14.15,(10.31,-6.02,;11.15,-7.32,;12.69,-7.24,;13.39,-5.86,;14.93,-5.79,;15.76,-7.07,;15.07,-8.45,;13.53,-8.53,;17.3,-7,;17.99,-5.63,;19.5,-5.53,;20.36,-6.83,;19.66,-8.19,;18.13,-8.28,;8.79,-6.11,;7.95,-4.81,;6.42,-4.88,;5.72,-6.26,;6.55,-7.54,;8.09,-7.47,;4.18,-6.33,;3.34,-5.04,;4.04,-3.66,;3.23,-2.36,;1.69,-2.43,;.99,-3.81,;-.55,-3.87,;-1.26,-5.23,;-.44,-6.54,;1.1,-6.47,;1.8,-5.11,)| Show InChI InChI=1S/C26H33N5/c1-2-6-23(7-3-1)31-18-16-30(17-19-31)15-14-21-10-12-22(13-11-21)29-26-24-8-4-5-9-25(24)27-20-28-26/h1-9,20-22H,10-19H2,(H,27,28,29)/t21-,22- | PDB
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Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity determined by measuring displacement of [3H]-spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells |
J Med Chem 41: 760-71 (1998)
Article DOI: 10.1021/jm9707378
BindingDB Entry DOI: 10.7270/Q20G3J97 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476915
(US10870660, Compound II-047)Show SMILES CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)C1=O |r,wU:15.16,wD:12.12,(11.97,-.99,;11.2,.35,;9.67,.51,;9.35,2.02,;10.68,2.79,;10.68,4.33,;9.35,5.1,;8.02,4.33,;8.02,2.79,;6.68,2.02,;6.68,.48,;5.35,2.79,;4.02,2.02,;2.68,2.79,;1.35,2.02,;1.35,.48,;.01,-.29,;-1.32,.48,;-2.65,-.29,;-3.86,.67,;-5.36,.32,;-6.03,-1.06,;-7.55,-1.27,;-7.83,-2.79,;-9.16,-3.56,;-10.49,-2.79,;-11.83,-3.56,;-11.83,-5.1,;-13.16,-4.33,;-13.16,-2.79,;-6.47,-3.52,;-5.36,-2.45,;-3.86,-2.79,;-2.65,-1.83,;2.68,-.29,;4.02,.48,;11.83,1.76,;13.16,2.53,)| Show InChI InChI=1S/C27H33F3N4O3S/c1-33-15-21-19(3-2-4-20(21)25(33)36)24(35)31-18-7-5-17(6-8-18)9-12-34-13-10-22-23(11-14-34)38-26(32-22)37-16-27(28,29)30/h2-4,17-18H,5-16H2,1H3,(H,31,35)/t17-,18- | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476764
(US10870660, Compound III-064 | US11345716, Compoun...)Show SMILES CC(Oc1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4C(=O)N(C)Cc34)CCc2s1)C(F)(F)F |r,wU:11.10,wD:14.17,(-10.47,-1.44,;-10.47,-2.98,;-9.14,-3.75,;-7.8,-2.98,;-7.64,-1.44,;-6.14,-1.12,;-5.57,.31,;-4.1,.76,;-2.83,-.1,;-1.5,.67,;-.16,-.1,;1.17,.67,;1.17,2.21,;2.5,2.98,;3.84,2.21,;3.84,.67,;2.5,-.1,;5.17,2.98,;6.51,2.21,;6.51,.67,;7.84,2.98,;7.84,4.52,;9.17,5.29,;10.51,4.52,;10.51,2.98,;11.65,1.95,;13.14,2.34,;11.02,.54,;11.79,-.8,;9.49,.7,;9.17,2.21,;-2.71,-1.64,;-3.84,-2.69,;-5.37,-2.46,;-6.4,-3.6,;-11.8,-3.75,;-13.14,-2.98,;-11.8,-5.29,;-13.14,-4.52,)| Show InChI InChI=1S/C28H35F3N4O3S/c1-17(28(29,30)31)38-27-33-23-11-14-35(15-12-24(23)39-27)13-10-18-6-8-19(9-7-18)32-25(36)20-4-3-5-21-22(20)16-34(2)26(21)37/h3-5,17-19H,6-16H2,1-2H3,(H,32,36)/t17?,18-,19- | PDB
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| 0.0260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50341508
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1 |r| Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1 | PDB
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Friedrich Alexander University
Curated by ChEMBL
| Assay Description
Displacement of [3H]7-OH-DPAT from human dopamine D3 receptor expressed in CHO cells after 60 mins |
J Med Chem 54: 2477-91 (2011)
Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50207116
(CHEMBL3905247 | US9550741, I-4)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2[nH]1 |r,wU:6.6,wD:3.2,(25.87,-26.54,;26.59,-25.21,;25.82,-23.88,;24.29,-23.88,;23.52,-22.54,;21.97,-22.54,;21.2,-23.88,;19.67,-23.88,;18.9,-22.54,;17.36,-22.54,;16.59,-23.88,;15.06,-23.88,;14.29,-22.54,;15.06,-21.21,;16.59,-21.21,;12.75,-22.54,;11.83,-23.78,;10.4,-23.31,;10.4,-21.77,;9.27,-20.75,;9.58,-19.21,;11.07,-18.75,;12.13,-19.78,;11.83,-21.26,;21.97,-25.21,;23.52,-25.21,;28.13,-25.11,;28.95,-23.83,;30.43,-24.24,;31.72,-23.36,;33.1,-24.08,;33.15,-25.62,;31.87,-26.44,;30.48,-25.77,;29.05,-26.29,)| Show InChI InChI=1S/C28H33N5OS/c34-28(25-19-21-5-1-3-7-24(21)30-25)29-22-11-9-20(10-12-22)13-14-32-15-17-33(18-16-32)27-23-6-2-4-8-26(23)35-31-27/h1-8,19-20,22,30H,9-18H2,(H,29,34)/t20-,22- | PDB
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Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho... |
Eur J Med Chem 123: 332-353 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476836
(US10870660, Compound III-581 | US11345716, Compoun...)Show SMILES Cc1cc(OCC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)N3CC(F)(F)C3)CC2)no1 |r,wU:12.12,wD:9.8,(13.67,2.46,;12.13,2.46,;11.22,1.21,;9.76,1.69,;8.42,.92,;7.09,1.69,;5.76,.92,;5.76,-.62,;4.42,1.69,;3.09,.92,;1.76,1.69,;.42,.92,;.42,-.62,;-.91,-1.39,;-2.25,-.62,;-3.58,-1.39,;-3.58,-2.93,;-4.91,-3.7,;-6.25,-2.93,;-7.71,-3.41,;-8.62,-2.16,;-7.71,-.92,;-6.25,-1.39,;-4.91,-.62,;-10.16,-2.16,;-11.24,-1.07,;-12.33,-2.16,;-13.67,-1.39,;-13.67,-2.93,;-11.24,-3.25,;1.76,-1.39,;3.09,-.62,;9.76,3.23,;11.22,3.7,)| Show InChI InChI=1S/C23H31F2N5O3S/c1-15-10-21(28-33-15)32-12-20(31)26-17-4-2-16(3-5-17)6-8-29-9-7-19-18(11-29)27-22(34-19)30-13-23(24,25)14-30/h10,16-17H,2-9,11-14H2,1H3,(H,26,31)/t16-,17- | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50008735
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1 | PDB
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Adamed Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]methylspiperone from human recombinant D3 receptor expressed in CHO cells |
J Med Chem 57: 4543-57 (2014)
Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50008735
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1 | PDB
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Jagiellonian University Collegium Medicum
Curated by ChEMBL
| Assay Description
Displacement of [3H]methylspiperone from human dopamine D3 receptor expressed in CHO cells |
Eur J Med Chem 92: 221-35 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50207143
(CHEMBL3966842 | US9550741, II-1)Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1 |r,wU:4.3,wD:7.7,(11.63,-23.22,;13.07,-23.76,;11.88,-24.73,;13.9,-22.46,;15.43,-22.53,;16.27,-21.24,;17.8,-21.31,;18.51,-22.68,;20.04,-22.75,;20.87,-21.45,;22.41,-21.53,;23.25,-20.23,;24.78,-20.3,;25.49,-21.67,;24.66,-22.97,;23.12,-22.9,;27.03,-21.75,;27.88,-23.03,;29.36,-22.62,;29.43,-21.08,;30.62,-20.11,;30.37,-18.59,;28.93,-18.05,;27.74,-19.02,;27.99,-20.54,;17.68,-23.98,;16.14,-23.9,;13.77,-25.13,;15.29,-25.35,;15.54,-26.87,;14.18,-27.58,;13.08,-26.5,)| Show InChI InChI=1S/C23H30N4O2S3/c28-32(29,22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-26-13-15-27(16-14-26)23-20-4-1-2-5-21(20)31-24-23/h1-6,17-19,25H,7-16H2/t18-,19- | PDB
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| 0.0430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho... |
Eur J Med Chem 123: 332-353 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50207162
(CHEMBL3918755 | US9550741, IV-1)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1ccccc1 |r,wU:3.2,wD:6.6,(50.44,-29.19,;50.04,-27.71,;51.06,-26.58,;52.54,-26.89,;53.62,-25.76,;55.11,-26.07,;55.56,-27.55,;57.05,-27.86,;58.13,-26.73,;59.62,-27.04,;60.07,-28.53,;61.61,-28.84,;62.64,-27.65,;62.13,-26.22,;60.64,-25.92,;64.13,-28.02,;64.74,-29.4,;66.28,-29.24,;66.59,-27.76,;67.92,-26.99,;67.92,-25.45,;66.59,-24.68,;65.25,-25.45,;65.25,-26.99,;54.55,-28.69,;53.06,-28.37,;48.55,-27.35,;47.47,-28.42,;45.98,-28.02,;44.98,-29.09,;45.27,-30.58,;46.75,-30.99,;47.88,-29.91,)| Show InChI InChI=1S/C26H33N5OS/c32-26(27-21-6-2-1-3-7-21)28-22-12-10-20(11-13-22)14-15-30-16-18-31(19-17-30)25-23-8-4-5-9-24(23)33-29-25/h1-9,20,22H,10-19H2,(H2,27,28,32)/t20-,22- | PDB
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Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho... |
Eur J Med Chem 123: 332-353 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50207155
(CHEMBL3895540)Show SMILES CN([C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)S(=O)(=O)c1cccs1 |r,wU:2.1,wD:5.5,(23.14,-23.94,;23.62,-22.48,;25.13,-22.16,;25.61,-20.7,;27.11,-20.38,;28.14,-21.52,;29.64,-21.2,;30.67,-22.35,;32.18,-22.03,;33.21,-23.17,;34.72,-22.85,;35.19,-21.39,;34.16,-20.24,;32.66,-20.56,;36.7,-21.06,;37.33,-19.66,;38.86,-19.82,;39.18,-21.32,;40.51,-22.1,;40.51,-23.63,;39.18,-24.41,;37.84,-23.63,;37.84,-22.1,;27.67,-22.98,;26.16,-23.31,;22.59,-21.33,;21.1,-20.94,;21.51,-22.42,;23.07,-19.87,;22.16,-18.63,;23.07,-17.38,;24.53,-17.86,;24.53,-19.4,)| Show InChI InChI=1S/C24H32N4O2S3/c1-26(33(29,30)23-7-4-18-31-23)20-10-8-19(9-11-20)12-13-27-14-16-28(17-15-27)24-21-5-2-3-6-22(21)32-25-24/h2-7,18-20H,8-17H2,1H3/t19-,20- | PDB
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| 0.0460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho... |
Eur J Med Chem 123: 332-353 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50207141
(CHEMBL3920252)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccccc1 |r,wU:3.2,wD:6.6,(14.96,-24.92,;14.59,-23.44,;15.62,-22.31,;17.11,-22.62,;18.13,-21.49,;19.62,-21.8,;20.13,-23.23,;21.61,-23.59,;22.64,-22.41,;24.13,-22.77,;24.64,-24.21,;26.12,-24.52,;27.15,-23.39,;26.69,-21.95,;25.15,-21.6,;28.64,-23.69,;29.3,-25.13,;30.79,-24.97,;31.15,-23.44,;32.48,-22.67,;32.48,-21.13,;31.15,-20.36,;29.82,-21.13,;29.82,-22.67,;19.1,-24.41,;17.57,-24.1,;13.11,-23.03,;12.7,-21.54,;11.21,-21.18,;10.14,-22.26,;10.49,-23.75,;11.98,-24.16,)| Show InChI InChI=1S/C26H32N4OS/c31-26(21-6-2-1-3-7-21)27-22-12-10-20(11-13-22)14-15-29-16-18-30(19-17-29)25-23-8-4-5-9-24(23)32-28-25/h1-9,20,22H,10-19H2,(H,27,31)/t20-,22- | PDB
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| 0.0470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho... |
Eur J Med Chem 123: 332-353 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476923
(US10870660, Compound II-081 | US11345716, Compound...)Show SMILES CCn1c(cccc1=O)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)CC1 |r,wU:15.16,wD:12.12,(11.5,-.85,;10.17,-.08,;10.17,1.46,;8.84,2.23,;8.84,3.77,;10.17,4.54,;11.5,3.77,;11.5,2.23,;12.84,1.46,;7.5,1.46,;7.5,-.08,;6.17,2.23,;4.84,1.46,;3.5,2.23,;2.17,1.46,;2.17,-.08,;.84,-.85,;-.5,-.08,;-1.83,-.85,;-1.72,-2.39,;-2.85,-3.43,;-4.37,-3.21,;-5.14,-4.54,;-6.68,-4.54,;-7.45,-3.21,;-8.99,-3.21,;-9.76,-1.87,;-11.3,-1.87,;-12.07,-.54,;-12.07,-3.21,;-12.84,-1.87,;-6.68,-1.87,;-5.14,-1.87,;-4.58,-.44,;-3.1,.02,;3.5,-.85,;4.84,-.08,)| Show InChI InChI=1S/C27H35F3N4O3/c1-2-34-23(4-3-5-25(34)35)26(36)31-21-9-6-19(7-10-21)12-15-33-16-13-20-8-11-24(32-22(20)14-17-33)37-18-27(28,29)30/h3-5,8,11,19,21H,2,6-7,9-10,12-18H2,1H3,(H,31,36)/t19-,21- | PDB
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| 0.0480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476834
(US10870660, Compound III-578 | US11345716, Compoun...)Show SMILES COc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)N3CC(F)(F)C3)CC2)on1 |r,wU:12.12,wD:9.8,(13.39,2.49,;12.62,1.15,;11.08,1.15,;10.17,2.4,;8.71,1.93,;7.37,2.69,;6.04,1.93,;6.04,.38,;4.7,2.69,;3.37,1.93,;2.04,2.69,;.7,1.93,;.7,.38,;-.63,-.38,;-1.96,.38,;-3.3,-.38,;-3.3,-1.93,;-4.63,-2.69,;-5.96,-1.93,;-7.43,-2.4,;-8.33,-1.15,;-7.43,.09,;-5.96,-.38,;-4.63,.38,;-9.87,-1.15,;-10.96,-.07,;-12.05,-1.15,;-13.39,-.38,;-13.39,-1.93,;-10.96,-2.24,;2.04,-.38,;3.37,.38,;8.71,.38,;10.17,-.09,)| Show InChI InChI=1S/C23H31F2N5O3S/c1-32-21-11-17(33-28-21)10-20(31)26-16-4-2-15(3-5-16)6-8-29-9-7-19-18(12-29)27-22(34-19)30-13-23(24,25)14-30/h11,15-16H,2-10,12-14H2,1H3,(H,26,31)/t15-,16- | PDB
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| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50207148
(CHEMBL3932186)Show SMILES Clc1ccc2c(nsc2c1)N1CCN(C[C@H]2CC[C@H](CNC(=O)c3ccco3)CC2)CC1 |r,wU:18.20,wD:15.16,(61.66,-13.04,;60.17,-12.64,;59.14,-13.82,;57.6,-13.46,;57.14,-12.02,;55.75,-11.41,;55.91,-9.87,;57.39,-9.56,;58.17,-10.89,;59.71,-11.2,;54.42,-12.18,;53.09,-11.41,;51.75,-12.18,;51.75,-13.72,;50.42,-14.49,;49.09,-13.72,;49.09,-12.18,;47.75,-11.41,;46.41,-12.18,;45.08,-11.41,;43.75,-12.18,;42.42,-11.41,;42.31,-9.87,;41.14,-12.23,;41.09,-13.77,;39.6,-14.18,;38.78,-12.9,;39.75,-11.66,;46.41,-13.72,;47.75,-14.49,;53.09,-14.49,;54.42,-13.72,)| Show InChI InChI=1S/C24H29ClN4O2S/c25-19-7-8-20-22(14-19)32-27-23(20)29-11-9-28(10-12-29)16-18-5-3-17(4-6-18)15-26-24(30)21-2-1-13-31-21/h1-2,7-8,13-14,17-18H,3-6,9-12,15-16H2,(H,26,30)/t17-,18- | PDB
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| 0.0510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho... |
Eur J Med Chem 123: 332-353 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476858
(US10870660, Compound III-706 | US11345716, Compoun...)Show SMILES Cc1nc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)N3CC(F)(F)C3)CC2)cs1 |r,wU:12.12,wD:9.8,(12.75,4.37,;11.98,3.04,;10.51,2.56,;10.51,1.02,;9.18,.25,;7.84,1.02,;6.51,.25,;6.51,-1.29,;5.18,1.02,;3.84,.25,;2.53,1.02,;1.19,.25,;1.19,-1.29,;-.14,-2.06,;-1.48,-1.29,;-2.81,-2.06,;-2.79,-3.6,;-4.13,-4.37,;-5.46,-3.6,;-6.92,-4.08,;-7.83,-2.83,;-6.92,-1.58,;-5.46,-2.06,;-4.13,-1.29,;-9.37,-2.83,;-10.46,-1.74,;-11.55,-2.83,;-12.88,-2.06,;-12.88,-3.6,;-10.46,-3.92,;2.53,-2.06,;3.86,-1.29,;11.98,.54,;12.88,1.79,)| Show InChI InChI=1S/C24H31F2N5OS2/c1-16-27-19(13-33-16)6-7-22(32)28-18-4-2-17(3-5-18)8-10-30-11-9-21-20(12-30)29-23(34-21)31-14-24(25,26)15-31/h6-7,13,17-18H,2-5,8-12,14-15H2,1H3,(H,28,32)/b7-6+/t17-,18- | PDB
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| 0.0510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476924
(US10870660, Compound II-084 | US11345716, Compound...)Show SMILES CN(CC(F)(F)F)c1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)Cc3cnc(C)s3)CCc2s1 |r,wU:15.14,wD:18.21,(-9.24,-3.94,;-9.24,-2.4,;-10.58,-1.63,;-11.91,-2.4,;-13.24,-3.17,;-12.68,-1.07,;-11.14,-3.73,;-7.91,-1.63,;-7.64,-.12,;-6.11,.09,;-5.44,1.48,;-3.94,1.82,;-2.74,.86,;-1.4,1.63,;-.07,.86,;1.27,1.63,;1.27,3.17,;2.6,3.94,;3.93,3.17,;3.93,1.63,;2.6,.86,;5.27,3.94,;6.6,3.17,;6.6,1.63,;7.93,3.94,;9.27,3.17,;9.43,1.64,;10.93,1.32,;11.7,2.65,;13.24,2.65,;10.67,3.8,;-2.74,-.68,;-3.94,-1.64,;-5.44,-1.3,;-6.55,-2.36,)| Show InChI InChI=1S/C24H34F3N5OS2/c1-16-28-14-19(34-16)13-22(33)29-18-5-3-17(4-6-18)7-10-32-11-8-20-21(9-12-32)35-23(30-20)31(2)15-24(25,26)27/h14,17-18H,3-13,15H2,1-2H3,(H,29,33)/t17-,18- | PDB
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| 0.0520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50207154
(CHEMBL3902496)Show SMILES CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:5.4,wD:8.8,(11.36,-23.72,;12.08,-25.09,;13.63,-25.17,;14.35,-26.54,;14.39,-23.84,;15.92,-23.82,;16.73,-22.48,;18.25,-22.47,;19.02,-23.77,;20.55,-23.8,;21.36,-22.41,;22.89,-22.44,;23.66,-23.75,;25.22,-23.71,;25.99,-22.39,;25.18,-21.09,;23.64,-21.06,;27.51,-22.37,;28.43,-23.64,;29.9,-23.16,;29.87,-21.58,;30.95,-20.55,;30.62,-19.05,;29.21,-18.57,;28.06,-19.61,;28.39,-21.11,;18.27,-25.14,;16.74,-25.17,)| Show InChI InChI=1S/C22H32N4OS/c1-2-21(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)22-19-5-3-4-6-20(19)28-24-22/h3-6,17-18H,2,7-16H2,1H3,(H,23,27)/t17-,18- | PDB
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| 0.0520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho... |
Eur J Med Chem 123: 332-353 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50207113
(CHEMBL3896937 | US9550741, IV-3)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1cccnc1 |r,wU:3.2,wD:6.6,(15.23,-21.5,;14.88,-22.99,;15.9,-24.12,;17.39,-23.82,;17.85,-22.32,;19.4,-22.02,;20.42,-23.15,;21.91,-22.84,;22.94,-23.97,;24.43,-23.66,;24.95,-22.17,;26.43,-21.87,;27.46,-22.99,;27,-24.48,;25.45,-24.79,;28.95,-22.68,;29.62,-21.3,;31.1,-21.45,;31.47,-22.94,;32.8,-23.71,;32.8,-25.25,;31.47,-26.02,;30.13,-25.25,;30.13,-23.71,;19.91,-24.63,;18.42,-24.95,;13.38,-23.35,;12.25,-22.27,;10.76,-22.68,;9.75,-21.6,;10.16,-20.12,;11.58,-19.7,;12.67,-20.78,)| Show InChI InChI=1S/C25H32N6OS/c32-25(28-21-4-3-12-26-18-21)27-20-9-7-19(8-10-20)11-13-30-14-16-31(17-15-30)24-22-5-1-2-6-23(22)33-29-24/h1-6,12,18-20H,7-11,13-17H2,(H2,27,28,32)/t19-,20- | PDB
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Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho... |
Eur J Med Chem 123: 332-353 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50207094
(CHEMBL3976282 | US9550741, I-2)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1 |r,wU:3.2,wD:6.6,(15.49,-22.15,;14.77,-20.77,;15.54,-19.44,;17.08,-19.44,;17.84,-18.11,;19.39,-18.11,;20.15,-19.44,;21.69,-19.44,;22.46,-18.11,;23.99,-18.11,;24.76,-19.44,;26.3,-19.44,;27.06,-18.11,;26.3,-16.77,;24.76,-16.77,;28.61,-18.11,;29.53,-19.33,;31.01,-18.87,;31.01,-17.34,;32.14,-16.31,;31.83,-14.78,;30.34,-14.31,;29.22,-15.34,;29.53,-16.88,;19.39,-20.77,;17.84,-20.77,;13.24,-20.67,;12.42,-19.38,;10.93,-19.79,;10.88,-21.34,;12.32,-21.9,)| Show InChI InChI=1S/C24H30N4OS2/c29-24(22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-27-13-15-28(16-14-27)23-20-4-1-2-5-21(20)31-26-23/h1-6,17-19H,7-16H2,(H,25,29)/t18-,19- | PDB
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| 0.0560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho... |
Eur J Med Chem 123: 332-353 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476773
(US10870660, Compound III-138 | US11345716, Compoun...)Show SMILES Cn1cc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1 |r,wU:12.12,wD:9.8,(12.71,6.09,;11.94,4.76,;10.47,4.28,;10.47,2.74,;9.14,1.97,;7.81,2.74,;6.47,1.97,;6.47,.43,;5.14,2.74,;3.81,1.97,;2.47,2.74,;1.14,1.97,;1.14,.43,;-.2,-.34,;-1.53,.43,;-2.86,-.34,;-4.22,.39,;-5.63,-.21,;-6.04,-1.77,;-7.51,-2.24,;-7.51,-3.78,;-8.84,-4.55,;-10.18,-3.78,;-11.51,-4.55,;-12.84,-3.78,;-11.51,-6.09,;-12.84,-5.32,;-6.04,-4.26,;-5.14,-3.01,;-3.6,-3.01,;-2.59,-1.85,;2.47,-.34,;3.81,.43,;11.94,2.27,;12.84,3.51,)| Show InChI InChI=1S/C24H32F3N5O2S/c1-31-15-18(14-28-31)4-7-22(33)29-19-5-2-17(3-6-19)8-11-32-12-9-20-21(10-13-32)35-23(30-20)34-16-24(25,26)27/h4,7,14-15,17,19H,2-3,5-6,8-13,16H2,1H3,(H,29,33)/b7-4+/t17-,19- | PDB
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| 0.0570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50207150
(CHEMBL3933256)Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccnc1 |r,wU:4.3,wD:7.7,(11.6,-23.29,;13.06,-23.79,;11.89,-24.79,;13.85,-22.47,;15.38,-22.49,;16.18,-21.18,;17.72,-21.2,;18.47,-22.55,;20,-22.57,;20.8,-21.26,;22.33,-21.29,;23.12,-19.96,;24.66,-19.99,;25.41,-21.33,;24.62,-22.66,;23.08,-22.63,;26.95,-21.37,;27.83,-22.63,;29.3,-22.18,;29.33,-20.64,;30.5,-19.63,;30.2,-18.12,;28.74,-17.61,;27.58,-18.63,;27.88,-20.14,;17.67,-23.87,;16.13,-23.85,;13.81,-25.13,;15.34,-25.16,;16.09,-26.5,;15.3,-27.83,;13.75,-27.8,;13.01,-26.45,)| Show InChI InChI=1S/C24H31N5O2S2/c30-33(31,21-4-3-12-25-18-21)27-20-9-7-19(8-10-20)11-13-28-14-16-29(17-15-28)24-22-5-1-2-6-23(22)32-26-24/h1-6,12,18-20,27H,7-11,13-17H2/t19-,20- | PDB
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Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho... |
Eur J Med Chem 123: 332-353 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476914
(US10870660, Compound II-041)Show SMILES COc1cc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)on1 |r,wU:13.13,wD:10.9,(14.13,4.44,;13.36,3.1,;11.82,3.1,;10.91,1.86,;9.45,2.33,;8.11,1.56,;6.78,2.33,;5.45,1.56,;5.45,.02,;4.11,2.33,;2.78,1.56,;1.44,2.33,;.11,1.56,;.11,.02,;-1.22,-.75,;-2.56,.02,;-3.89,-.75,;-3.77,-2.28,;-4.9,-3.33,;-6.43,-3.1,;-7.2,-4.44,;-8.74,-4.44,;-9.51,-3.1,;-11.05,-3.1,;-11.82,-1.77,;-13.36,-1.77,;-14.13,-.43,;-14.13,-3.1,;-8.74,-1.77,;-7.2,-1.77,;-6.63,-.33,;-5.16,.12,;1.44,-.75,;2.78,.02,;9.45,3.87,;10.91,4.35,)| Show InChI InChI=1S/C26H34F2N4O4/c1-34-26-16-21(36-31-26)7-8-24(33)29-20-5-2-18(3-6-20)10-13-32-14-11-19-4-9-25(35-17-23(27)28)30-22(19)12-15-32/h4,7-9,16,18,20,23H,2-3,5-6,10-15,17H2,1H3,(H,29,33)/b8-7+/t18-,20- | PDB
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| 0.0580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50207158
(CHEMBL3982486 | US9550741, III-2)Show SMILES CCOC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:6.5,wD:9.9,(23.48,-37.39,;25.01,-37.44,;25.84,-36.17,;27.39,-36.27,;28.1,-37.6,;28.15,-34.94,;29.7,-34.94,;30.48,-33.61,;32.01,-33.61,;32.78,-34.95,;34.32,-34.96,;35.09,-33.62,;36.64,-33.62,;37.41,-34.96,;38.95,-34.97,;39.72,-33.63,;38.95,-32.29,;37.42,-32.29,;41.26,-33.64,;42.19,-34.87,;43.56,-34.41,;43.57,-32.88,;44.7,-31.85,;44.39,-30.31,;43.02,-29.84,;41.84,-30.87,;42.19,-32.36,;32.01,-36.28,;30.47,-36.28,)| Show InChI InChI=1S/C22H32N4O2S/c1-2-28-22(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)21-19-5-3-4-6-20(19)29-24-21/h3-6,17-18H,2,7-16H2,1H3,(H,23,27)/t17-,18- | PDB
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| 0.0580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho... |
Eur J Med Chem 123: 332-353 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476925
(US10870660, Compound II-087)Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)OC1 |r| Show InChI InChI=1S/C27H32F3N5O3/c1-34-15-22-21(3-2-4-24(22)33-34)26(36)31-19-6-7-20(37-16-19)10-13-35-12-9-18-5-8-25(32-23(18)11-14-35)38-17-27(28,29)30/h2-5,8,15,19-20H,6-7,9-14,16-17H2,1H3,(H,31,36)/t19-,20+/m0/s1 | PDB
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| US Patent
| 0.0590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50207115
(CHEMBL3948056)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:11.11,wD:14.15,(9.53,-25.15,;11.07,-25.16,;11.83,-26.49,;13.37,-26.5,;14.14,-25.16,;13.38,-23.83,;11.84,-23.82,;15.69,-25.17,;15.69,-26.71,;17.02,-25.94,;16.46,-23.84,;18,-23.84,;18.77,-22.51,;20.31,-22.51,;21.08,-23.85,;22.62,-23.85,;23.39,-22.53,;24.93,-22.52,;25.7,-21.2,;27.24,-21.2,;28.01,-22.53,;27.24,-23.86,;25.7,-23.86,;29.55,-22.54,;30.45,-23.79,;31.91,-23.32,;31.91,-21.78,;33.06,-20.75,;32.74,-19.24,;31.28,-18.76,;30.14,-19.79,;30.45,-21.29,;20.31,-25.18,;18.77,-25.18,)| Show InChI InChI=1S/C26H34N4O2S2/c1-20-6-12-23(13-7-20)34(31,32)28-22-10-8-21(9-11-22)14-15-29-16-18-30(19-17-29)26-24-4-2-3-5-25(24)33-27-26/h2-7,12-13,21-22,28H,8-11,14-19H2,1H3/t21-,22- | PDB
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Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho... |
Eur J Med Chem 123: 332-353 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476759
(US10870660, Compound III-027 | US11345716, Compoun...)Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(C)(F)F)nc3CC2)CC1 |r,wU:16.18,wD:13.14,(12.71,-1.54,;11.94,-.21,;10.41,-.05,;10.09,1.46,;8.76,2.23,;8.76,3.77,;10.09,4.54,;11.42,3.77,;11.42,2.23,;12.57,1.2,;7.42,1.46,;7.42,-.08,;6.09,2.23,;4.76,1.46,;3.42,2.23,;2.09,1.46,;2.09,-.08,;.76,-.85,;-.58,-.08,;-1.91,-.85,;-1.8,-2.39,;-2.93,-3.43,;-4.45,-3.21,;-5.22,-4.54,;-6.76,-4.54,;-7.53,-3.21,;-9.07,-3.21,;-9.84,-1.87,;-11.38,-1.87,;-12.15,-.54,;-11.38,-3.41,;-12.71,-2.64,;-6.76,-1.87,;-5.22,-1.87,;-4.66,-.44,;-3.18,.02,;3.42,-.85,;4.76,-.08,)| Show InChI InChI=1S/C29H37F2N5O2/c1-29(30,31)19-38-27-11-8-21-13-16-36(17-14-25(21)33-27)15-12-20-6-9-22(10-7-20)32-28(37)23-4-3-5-26-24(23)18-35(2)34-26/h3-5,8,11,18,20,22H,6-7,9-10,12-17,19H2,1-2H3,(H,32,37)/t20-,22- | PDB
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| 0.0640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476866
(US10870660, Compound II-053 | US11345716, Compound...)Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)s1 |r,wU:12.12,wD:9.8,(13.21,2.4,;11.67,2.4,;10.77,1.16,;9.3,1.63,;9.3,3.17,;7.97,3.94,;6.63,3.17,;6.63,1.63,;5.3,3.94,;3.97,3.17,;2.63,3.94,;1.3,3.17,;1.3,1.63,;-.03,.86,;-1.37,1.63,;-2.7,.86,;-3.91,1.82,;-5.41,1.48,;-6.08,.09,;-7.6,-.12,;-7.88,-1.63,;-9.21,-2.4,;-10.54,-1.63,;-11.88,-2.4,;-11.88,-3.94,;-13.21,-1.63,;-13.21,-3.17,;-6.52,-2.36,;-5.41,-1.3,;-3.91,-1.64,;-2.7,-.68,;2.63,.86,;3.97,1.63,;10.77,3.65,)| Show InChI InChI=1S/C23H31F3N4O2S2/c1-15-27-13-18(33-15)12-21(31)28-17-4-2-16(3-5-17)6-9-30-10-7-19-20(8-11-30)34-22(29-19)32-14-23(24,25)26/h13,16-17H,2-12,14H2,1H3,(H,28,31)/t16-,17- | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50192240
(CHEMBL3941818 | US10239870, Example 278)Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-c1ncco1 |r| Show InChI InChI=1S/C28H28F3N5OS/c1-35-24(20-3-5-21(6-4-20)25-32-12-15-37-25)33-34-26(35)38-16-2-13-36-14-11-27(18-36)17-23(27)19-7-9-22(10-8-19)28(29,30)31/h3-10,12,15,23H,2,11,13-14,16-18H2,1H3/t23-,27+/m1/s1 | PDB
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| 0.0676 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting |
J Med Chem 59: 8549-76 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50192240
(CHEMBL3941818 | US10239870, Example 278)Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-c1ncco1 |r| Show InChI InChI=1S/C28H28F3N5OS/c1-35-24(20-3-5-21(6-4-20)25-32-12-15-37-25)33-34-26(35)38-16-2-13-36-14-11-27(18-36)17-23(27)19-7-9-22(10-8-19)28(29,30)31/h3-10,12,15,23H,2,11,13-14,16-18H2,1H3/t23-,27+/m1/s1 | PDB
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| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l.
Curated by ChEMBL
| Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding... |
J Med Chem 59: 8549-76 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50192240
(CHEMBL3941818 | US10239870, Example 278)Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-c1ncco1 |r| Show InChI InChI=1S/C28H28F3N5OS/c1-35-24(20-3-5-21(6-4-20)25-32-12-15-37-25)33-34-26(35)38-16-2-13-36-14-11-27(18-36)17-23(27)19-7-9-22(10-8-19)28(29,30)31/h3-10,12,15,23H,2,11,13-14,16-18H2,1H3/t23-,27+/m1/s1 | PDB
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| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l.
Curated by ChEMBL
| Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding... |
J Med Chem 59: 8549-76 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476922
(US10870660, Compound II-078 | US11345716, Compound...)Show SMILES Cc1cc(OCC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)no1 |r,wU:12.12,wD:9.8,(14.16,2.98,;12.62,2.98,;11.59,1.83,;10.18,2.46,;8.85,1.69,;7.52,2.46,;6.18,1.69,;6.18,.15,;4.85,2.46,;3.51,1.69,;2.18,2.46,;.85,1.69,;.85,.15,;-.49,-.62,;-1.82,.15,;-3.15,-.62,;-3.04,-2.16,;-4.17,-3.21,;-5.69,-2.98,;-6.46,-4.31,;-8,-4.31,;-8.77,-2.98,;-10.31,-2.98,;-11.08,-1.64,;-12.62,-1.64,;-13.39,-.31,;-13.39,-2.98,;-14.16,-1.64,;-8,-1.64,;-6.46,-1.64,;-5.9,-.21,;-4.43,.25,;2.18,-.62,;3.51,.15,;10.34,3.99,;11.85,4.31,)| Show InChI InChI=1S/C25H33F3N4O4/c1-17-14-24(31-36-17)34-15-22(33)29-20-5-2-18(3-6-20)8-11-32-12-9-19-4-7-23(30-21(19)10-13-32)35-16-25(26,27)28/h4,7,14,18,20H,2-3,5-6,8-13,15-16H2,1H3,(H,29,33)/t18-,20- | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50341508
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1 |r| Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1 | PDB
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Friedrich Alexander University
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins |
J Med Chem 54: 2477-91 (2011)
Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476838
(US10870660, Compound III-610 | US11345716, Compoun...)Show SMILES CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4sc(OCC(F)(F)F)nc4C3)CC2)C1=O |r,wU:15.16,wD:12.12,(11.85,-1.67,;11.08,-.33,;9.55,-.17,;9.23,1.33,;10.57,2.1,;10.57,3.64,;9.23,4.41,;7.9,3.64,;7.9,2.1,;6.56,1.33,;6.56,-.21,;5.23,2.1,;3.9,1.33,;2.56,2.1,;1.23,1.33,;1.23,-.21,;-.1,-.98,;-1.44,-.21,;-2.77,-.98,;-2.77,-2.52,;-4.1,-3.29,;-5.44,-2.52,;-6.9,-2.99,;-7.81,-1.75,;-9.35,-1.75,;-10.12,-3.08,;-11.66,-3.08,;-12.43,-4.41,;-13.2,-3.08,;-12.43,-1.75,;-6.9,-.5,;-5.44,-.98,;-4.1,-.21,;2.56,-.98,;3.9,-.21,;11.71,1.07,;13.2,1.47,)| Show InChI InChI=1S/C26H31F3N4O3S/c1-32-13-20-18(3-2-4-19(20)24(32)35)23(34)30-17-7-5-16(6-8-17)9-11-33-12-10-22-21(14-33)31-25(37-22)36-15-26(27,28)29/h2-4,16-17H,5-15H2,1H3,(H,30,34)/t16-,17- | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476886
(US10870660, Compound I-073 | US11345716, Compound ...)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3sc(nc3C2)N2CC3CC3C2)CC1)c1cccc2ncccc12 |r,wU:6.6,wD:3.2,(7.14,-.77,;7.14,.77,;5.81,1.54,;4.47,.77,;3.14,1.54,;1.81,.77,;1.81,-.77,;.47,-1.54,;-.86,-.77,;-2.19,-1.54,;-2.19,-3.08,;-3.53,-3.85,;-4.86,-3.08,;-6.33,-3.56,;-7.23,-2.31,;-6.33,-1.06,;-4.86,-1.54,;-3.53,-.77,;-8.77,-2.31,;-9.68,-1.06,;-11.14,-1.54,;-12.48,-2.31,;-11.14,-3.08,;-9.68,-3.56,;3.14,-1.54,;4.47,-.77,;8.47,1.54,;8.47,3.08,;9.81,3.85,;11.14,3.08,;11.14,1.54,;12.48,.77,;12.48,-.77,;11.14,-1.54,;9.81,-.77,;9.81,.77,)| Show InChI InChI=1S/C29H35N5OS/c35-28(24-3-1-5-25-23(24)4-2-12-30-25)31-22-8-6-19(7-9-22)10-13-33-14-11-27-26(18-33)32-29(36-27)34-16-20-15-21(20)17-34/h1-5,12,19-22H,6-11,13-18H2,(H,31,35)/t19-,20?,21?,22- | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50443101
(Cariprazine | RGH-188)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,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)| 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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TBA
| Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127681
BindingDB Entry DOI: 10.7270/Q2BZ69PB |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50443101
(Cariprazine | RGH-188)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,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)| 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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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiperone from dopamine D3 receptor (unknown origin) |
J Med Chem 60: 6480-6515 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00010
BindingDB Entry DOI: 10.7270/Q2PK0JDP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476859
(US10870660, Compound II-005 | US11345716, Compound...)Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)s1 |r,wU:12.12,wD:9.8,(13.07,1.84,;11.53,1.84,;10.63,.6,;9.16,1.07,;9.16,2.61,;7.83,3.38,;6.5,2.61,;6.5,1.07,;5.16,3.38,;3.83,2.61,;2.5,3.38,;1.16,2.61,;1.16,1.07,;-.17,.3,;-1.5,1.07,;-2.84,.3,;-2.72,-1.23,;-3.85,-2.28,;-5.37,-2.05,;-6.14,-3.38,;-7.68,-3.38,;-8.45,-2.05,;-9.99,-2.05,;-10.76,-.72,;-12.3,-.72,;-13.07,-2.05,;-13.07,.62,;-7.68,-.72,;-6.14,-.72,;-5.58,.72,;-4.11,1.17,;2.5,.3,;3.83,1.07,;10.63,3.09,)| Show InChI InChI=1S/C25H34F2N4O2S/c1-17-28-15-21(34-17)14-24(32)29-20-5-2-18(3-6-20)8-11-31-12-9-19-4-7-25(33-16-23(26)27)30-22(19)10-13-31/h4,7,15,18,20,23H,2-3,5-6,8-14,16H2,1H3,(H,29,32)/t18-,20- | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476795
(US10870660, Compound III-236 | US11345716, Compoun...)Show SMILES CCN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)OC2)C1=O |r| Show InChI InChI=1S/C29H35F3N4O4/c1-2-36-16-24-22(4-3-5-23(24)28(36)38)27(37)33-20-7-8-21(39-17-20)11-14-35-13-10-19-6-9-26(34-25(19)12-15-35)40-18-29(30,31)32/h3-6,9,20-21H,2,7-8,10-18H2,1H3,(H,33,37)/t20-,21+/m0/s1 | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
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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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
(Homo sapiens (Human)) | BDBM50207112
(CHEMBL3967779)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccnc1 |r,wU:6.6,wD:3.2,(28.69,-24.97,;29.08,-23.48,;28.06,-22.33,;26.55,-22.65,;25.52,-21.51,;24.02,-21.83,;23.54,-23.3,;22.03,-23.62,;21,-22.47,;19.49,-22.79,;19.01,-24.25,;17.51,-24.58,;16.48,-23.43,;16.96,-21.97,;18.46,-21.65,;14.97,-23.75,;14.34,-25.16,;12.82,-25,;12.49,-23.49,;11.16,-22.72,;11.16,-21.18,;12.49,-20.41,;13.83,-21.18,;13.83,-22.72,;24.57,-24.44,;26.07,-24.12,;30.57,-23.08,;30.97,-21.6,;32.46,-21.19,;33.55,-22.28,;33.15,-23.77,;31.66,-24.17,)| Show InChI InChI=1S/C25H31N5OS/c31-25(20-4-3-12-26-18-20)27-21-9-7-19(8-10-21)11-13-29-14-16-30(17-15-29)24-22-5-1-2-6-23(22)32-28-24/h1-6,12,18-19,21H,7-11,13-17H2,(H,27,31)/t19-,21- | PDB
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Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho... |
Eur J Med Chem 123: 332-353 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476842
(US10870660, Compound III-624 | US11345716, Compoun...)Show SMILES Cn1cc2c(cccc2n1)C(=O)NC1CC2(CC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)C2)C1 |(12.98,-1.91,;12.21,-.58,;10.67,-.42,;10.35,1.09,;9.02,1.86,;9.02,3.4,;10.35,4.17,;11.69,3.4,;11.69,1.86,;12.83,.83,;7.69,1.09,;7.69,-.45,;6.35,1.86,;5.02,1.09,;4.62,-.4,;3.13,,;2.73,-1.49,;1.25,-1.09,;-.09,-1.86,;-1.42,-1.09,;-2.75,-1.86,;-2.75,-3.4,;-4.09,-4.17,;-5.42,-3.4,;-6.89,-3.87,;-7.79,-2.63,;-9.33,-2.63,;-10.1,-1.3,;-11.64,-1.3,;-12.41,.04,;-11.64,-2.84,;-12.98,-2.07,;-6.89,-1.38,;-5.42,-1.86,;-4.09,-1.09,;1.65,.4,;3.53,1.49,)| Show InChI InChI=1S/C27H33F2N5O2S/c1-26(28,29)16-36-25-31-22-15-34(9-7-23(22)37-25)8-6-17-10-27(11-17)12-18(13-27)30-24(35)19-4-3-5-21-20(19)14-33(2)32-21/h3-5,14,17-18H,6-13,15-16H2,1-2H3,(H,30,35) | PDB
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SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50207114
(CHEMBL3892440)Show SMILES CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:8.8,wD:5.4,(36.84,-35.7,;35.3,-35.71,;33.84,-36.21,;35,-37.22,;34.52,-34.39,;32.98,-34.41,;32.2,-33.08,;30.66,-33.1,;29.9,-34.44,;28.37,-34.46,;27.58,-33.13,;26.04,-33.15,;25.26,-31.83,;23.72,-31.84,;22.96,-33.18,;23.74,-34.51,;25.29,-34.49,;21.43,-33.2,;20.53,-34.46,;19.07,-33.99,;19.05,-32.45,;17.9,-31.44,;18.2,-29.93,;19.66,-29.44,;20.81,-30.45,;20.51,-31.96,;30.68,-35.76,;32.23,-35.75,)| Show InChI InChI=1S/C20H30N4O2S2/c1-28(25,26)22-17-8-6-16(7-9-17)10-11-23-12-14-24(15-13-23)20-18-4-2-3-5-19(18)27-21-20/h2-5,16-17,22H,6-15H2,1H3/t16-,17- | PDB
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Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho... |
Eur J Med Chem 123: 332-353 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476869
(US10870660, Compound II-077 | US11345716, Compound...)Show SMILES COc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)on1 |r,wU:12.12,wD:9.8,(13.88,.76,;13.11,2.1,;11.57,2.1,;10.54,3.24,;9.13,2.61,;7.8,3.38,;6.46,2.61,;6.46,1.07,;5.13,3.38,;3.8,2.61,;2.46,3.38,;1.13,2.61,;1.13,1.07,;-.2,.3,;-1.54,1.07,;-2.87,.3,;-2.76,-1.23,;-3.89,-2.28,;-5.41,-2.05,;-6.18,-3.38,;-7.72,-3.38,;-8.49,-2.05,;-10.03,-2.05,;-10.8,-.72,;-12.34,-.72,;-13.11,.62,;-13.11,-2.05,;-13.88,-.72,;-7.72,-.72,;-6.18,-.72,;-5.62,.72,;-4.14,1.17,;2.46,.3,;3.8,1.07,;9.29,1.08,;10.8,.76,)| Show InChI InChI=1S/C25H33F3N4O4/c1-34-24-15-20(36-31-24)14-22(33)29-19-5-2-17(3-6-19)8-11-32-12-9-18-4-7-23(30-21(18)10-13-32)35-16-25(26,27)28/h4,7,15,17,19H,2-3,5-6,8-14,16H2,1H3,(H,29,33)/t17-,19- | PDB
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antibodypedia
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| PC cid
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UniChem
| US Patent
| 0.0950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50443101
(Cariprazine | RGH-188)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,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)| 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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Similars
| Article
PubMed
| 0.0960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho... |
Eur J Med Chem 123: 332-353 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.038
BindingDB Entry DOI: 10.7270/Q2GH9KXP |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476870
(US10870660, Compound II-085 | US11345716, Compound...)Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)o1 |r,wU:12.12,wD:9.8,(13.24,2.65,;11.7,2.65,;10.93,1.32,;9.43,1.64,;9.27,3.17,;7.93,3.94,;6.6,3.17,;6.6,1.63,;5.27,3.94,;3.93,3.17,;2.6,3.94,;1.27,3.17,;1.27,1.63,;-.07,.86,;-1.4,1.63,;-2.74,.86,;-3.94,1.82,;-5.44,1.48,;-6.11,.09,;-7.64,-.12,;-7.91,-1.63,;-9.24,-2.4,;-10.58,-1.63,;-11.91,-2.4,;-13.24,-3.17,;-13.24,-1.63,;-11.91,-3.94,;-6.55,-2.36,;-5.44,-1.3,;-3.94,-1.64,;-2.74,-.68,;2.6,.86,;3.93,1.63,;10.67,3.8,)| Show InChI InChI=1S/C23H31F3N4O3S/c1-15-27-13-18(33-15)12-21(31)28-17-4-2-16(3-5-17)6-9-30-10-7-19-20(8-11-30)34-22(29-19)32-14-23(24,25)26/h13,16-17H,2-12,14H2,1H3,(H,28,31)/t16-,17- | PDB
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antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| 0.0960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50265775
(CHEMBL462508 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...)Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1Cl Show InChI InChI=1S/C24H26Cl2N4O/c25-20-8-5-9-22(23(20)26)30-14-12-29(13-15-30)11-4-3-10-27-24(31)21-16-18-6-1-2-7-19(18)17-28-21/h1-2,5-9,16-17H,3-4,10-15H2,(H,27,31) | PDB
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antibodypedia
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Similars
| Article
PubMed
| 0.0990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena
Curated by ChEMBL
| Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry |
J Med Chem 52: 151-69 (2009)
Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD |
More data for this
Ligand-Target Pair | |
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