Found 41 hits with Last Name = 'collins' and Initial = 'gt' 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)) | BDBM50253328
((S)-N-(4-((2-amino-4,5,6,7-tetrahydrobenzo[d]thiaz...)Show SMILES CCCN(CCCCNC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C25H32N4OS/c1-2-14-29(21-11-12-22-23(17-21)31-25(26)28-22)15-6-5-13-27-24(30)20-10-9-18-7-3-4-8-19(18)16-20/h3-4,7-10,16,21H,2,5-6,11-15,17H2,1H3,(H2,26,28)(H,27,30)/t21-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50400513
(CHEMBL2203404)Show SMILES CCCN(CC[C@H]1C[C@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,8.10,wD:23.25,(9.6,-44.79,;9.61,-43.25,;8.27,-42.48,;8.28,-40.94,;9.61,-40.17,;10.94,-40.94,;12.28,-40.18,;12.68,-38.7,;14.16,-39.1,;13.76,-40.58,;15.5,-38.33,;16.83,-39.11,;16.82,-40.65,;18.2,-38.37,;18.19,-36.83,;19.52,-36.07,;20.84,-36.83,;22.17,-36.06,;23.51,-36.84,;23.5,-38.38,;22.16,-39.14,;20.84,-38.36,;19.52,-39.12,;6.94,-40.17,;6.94,-38.63,;5.61,-37.85,;4.28,-38.62,;2.81,-38.14,;1.9,-39.39,;.36,-39.39,;2.81,-40.65,;4.28,-40.17,;5.61,-40.93,)| Show InChI InChI=1S/C27H34N4OS/c1-2-12-31(23-9-10-24-25(17-23)33-27(28)30-24)13-11-18-14-22(15-18)29-26(32)21-8-7-19-5-3-4-6-20(19)16-21/h3-8,16,18,22-23H,2,9-15,17H2,1H3,(H2,28,30)(H,29,32)/t18-,22+,23-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins |
ACS Med Chem Lett 2: 620-625 (2011)
Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50400512
(CHEMBL2203405)Show SMILES CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.11,6.6,wD:24.26,6.5,(37,-43.99,;37,-42.44,;35.67,-41.67,;35.67,-40.13,;37.01,-39.36,;38.34,-40.14,;39.67,-39.37,;39.66,-40.91,;41.16,-39.77,;41.56,-38.29,;40.07,-37.89,;42.9,-37.52,;44.23,-38.3,;44.22,-39.84,;45.59,-37.56,;45.59,-36.03,;46.91,-35.26,;48.23,-36.02,;49.56,-35.25,;50.9,-36.03,;50.89,-37.57,;49.56,-38.33,;48.23,-37.55,;46.92,-38.32,;34.34,-39.36,;34.34,-37.82,;33.01,-37.04,;31.68,-37.81,;30.21,-37.33,;29.3,-38.59,;27.76,-38.59,;30.21,-39.84,;31.68,-39.36,;33.01,-40.12,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins |
ACS Med Chem Lett 2: 620-625 (2011)
Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50253393
(CHEMBL495327 | Naphthalene-2-carboxylic acid (4-{2...)Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:25.27,9.12,(-.71,-29.3,;-.71,-27.76,;-2.04,-26.99,;-2.04,-25.45,;-.71,-24.68,;.63,-25.45,;1.96,-24.68,;1.95,-23.14,;3.3,-22.38,;4.63,-23.15,;4.62,-24.69,;3.29,-25.46,;5.96,-22.39,;7.29,-23.16,;7.29,-24.7,;8.63,-22.39,;9.96,-23.16,;11.29,-22.4,;11.29,-20.86,;12.62,-20.09,;12.62,-18.55,;11.28,-17.78,;9.95,-18.55,;9.95,-20.08,;8.62,-20.85,;-3.37,-24.67,;-3.37,-23.13,;-4.72,-22.35,;-6.05,-23.12,;-7.53,-22.64,;-8.45,-23.9,;-9.99,-23.9,;-7.53,-25.16,;-6.05,-24.67,;-4.72,-25.44,)| Show InChI InChI=1S/C29H38N4OS/c1-2-16-33(25-13-14-26-27(19-25)35-29(30)32-26)17-15-20-7-11-24(12-8-20)31-28(34)23-10-9-21-5-3-4-6-22(21)18-23/h3-6,9-10,18,20,24-25H,2,7-8,11-17,19H2,1H3,(H2,30,32)(H,31,34)/t20-,24-,25-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50400514
(CHEMBL2203403)Show SMILES CCCN(CC[C@H]1C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:8.10,wD:23.25,6.5,(39.2,-32.88,;39.2,-31.34,;37.87,-30.56,;37.87,-29.02,;39.21,-28.26,;40.54,-29.03,;41.87,-28.26,;43.36,-28.67,;43.76,-27.18,;42.27,-26.78,;45.1,-26.42,;46.43,-27.19,;46.42,-28.73,;47.79,-26.45,;47.79,-24.92,;49.11,-24.15,;50.43,-24.92,;51.76,-24.14,;53.1,-24.92,;53.09,-26.46,;51.75,-27.22,;50.43,-26.44,;49.12,-27.21,;36.54,-28.25,;36.54,-26.71,;35.21,-25.93,;33.88,-26.7,;32.41,-26.23,;31.5,-27.48,;29.96,-27.48,;32.41,-28.73,;33.88,-28.25,;35.21,-29.01,)| Show InChI InChI=1S/C27H34N4OS/c1-2-12-31(23-9-10-24-25(17-23)33-27(28)30-24)13-11-18-14-22(15-18)29-26(32)21-8-7-19-5-3-4-6-20(19)16-21/h3-8,16,18,22-23H,2,9-15,17H2,1H3,(H2,28,30)(H,29,32)/t18-,22-,23-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins |
ACS Med Chem Lett 2: 620-625 (2011)
Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50253473
(CHEMBL492883 | N-(4-{2-[((S)-2-Amino-4,5,6,7-tetra...)Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)\C=C\c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:9.12,23.24,(-.41,-16.74,;-.41,-15.2,;-1.74,-14.43,;-1.74,-12.89,;-.41,-12.12,;.93,-12.89,;2.26,-12.12,;2.25,-10.58,;3.59,-9.82,;4.93,-10.59,;4.92,-12.14,;3.59,-12.9,;6.26,-9.83,;7.59,-10.6,;7.59,-12.14,;8.93,-9.83,;10.26,-10.6,;11.6,-9.83,;12.92,-10.61,;14.26,-9.85,;14.26,-8.3,;12.92,-7.53,;11.59,-8.3,;-3.07,-12.11,;-3.07,-10.57,;-4.42,-9.79,;-5.75,-10.56,;-7.23,-10.08,;-8.15,-11.34,;-9.69,-11.34,;-7.23,-12.6,;-5.75,-12.11,;-4.42,-12.88,)| Show InChI InChI=1S/C27H38N4OS/c1-2-17-31(23-13-14-24-25(19-23)33-27(28)30-24)18-16-21-8-11-22(12-9-21)29-26(32)15-10-20-6-4-3-5-7-20/h3-7,10,15,21-23H,2,8-9,11-14,16-19H2,1H3,(H2,28,30)(H,29,32)/b15-10+/t21-,22-,23-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50116766
((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...)Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1 | KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins |
ACS Med Chem Lett 2: 620-625 (2011)
Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50400511
(CHEMBL2203406)Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins |
ACS Med Chem Lett 2: 620-625 (2011)
Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50253472
(Benzofuran-2-carboxylic acid (4-{2-[((S)-2-amino-4...)Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1cc2ccccc2o1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:9.12,24.26,(22,-4.24,;22.01,-2.7,;20.67,-1.93,;20.67,-.39,;22.01,.38,;23.34,-.39,;24.68,.38,;24.67,1.92,;26.01,2.68,;27.34,1.91,;27.33,.36,;26,-.4,;28.68,2.67,;30.01,1.9,;30.01,.36,;31.34,2.67,;32.75,2.04,;33.77,3.18,;35.31,3.18,;36.08,4.51,;35.31,5.85,;33.78,5.85,;33.01,4.52,;31.5,4.2,;19.34,.38,;19.34,1.93,;18,2.71,;16.67,1.94,;15.19,2.42,;14.27,1.16,;12.73,1.16,;15.19,-.1,;16.67,.38,;18,-.38,)| Show InChI InChI=1S/C27H36N4O2S/c1-2-14-31(21-11-12-22-25(17-21)34-27(28)30-22)15-13-18-7-9-20(10-8-18)29-26(32)24-16-19-5-3-4-6-23(19)33-24/h3-6,16,18,20-21H,2,7-15,17H2,1H3,(H2,28,30)(H,29,32)/t18-,20-,21-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50253394
(CHEMBL494308 | Naphthalene-2-carboxylic acid (4-{2...)Show SMILES CCCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:7.6,wD:26.28,10.13,(25.45,-29.36,;24.12,-28.59,;24.12,-27.05,;22.79,-26.28,;22.79,-24.74,;24.12,-23.97,;25.46,-24.74,;26.79,-23.97,;26.78,-22.43,;28.12,-21.67,;29.46,-22.44,;29.45,-23.98,;28.11,-24.75,;30.79,-21.68,;32.12,-22.45,;32.12,-23.99,;33.46,-21.68,;34.79,-22.45,;36.12,-21.69,;36.11,-20.15,;37.45,-19.38,;37.45,-17.84,;36.11,-17.07,;34.78,-17.84,;34.78,-19.37,;33.45,-20.14,;21.46,-23.96,;21.46,-22.42,;20.11,-21.64,;18.78,-22.41,;17.3,-21.93,;16.38,-23.19,;14.84,-23.19,;17.3,-24.45,;18.78,-23.96,;20.11,-24.73,)| Show InChI InChI=1S/C30H40N4OS/c1-2-3-17-34(26-14-15-27-28(20-26)36-30(31)33-27)18-16-21-8-12-25(13-9-21)32-29(35)24-11-10-22-6-4-5-7-23(22)19-24/h4-7,10-11,19,21,25-26H,2-3,8-9,12-18,20H2,1H3,(H2,31,33)(H,32,35)/t21-,25-,26-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50116766
((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...)Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1 | KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
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MCE
PC cid
PC sid
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UniChem
Patents
Similars
| Article
PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50253393
(CHEMBL495327 | Naphthalene-2-carboxylic acid (4-{2...)Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:25.27,9.12,(-.71,-29.3,;-.71,-27.76,;-2.04,-26.99,;-2.04,-25.45,;-.71,-24.68,;.63,-25.45,;1.96,-24.68,;1.95,-23.14,;3.3,-22.38,;4.63,-23.15,;4.62,-24.69,;3.29,-25.46,;5.96,-22.39,;7.29,-23.16,;7.29,-24.7,;8.63,-22.39,;9.96,-23.16,;11.29,-22.4,;11.29,-20.86,;12.62,-20.09,;12.62,-18.55,;11.28,-17.78,;9.95,-18.55,;9.95,-20.08,;8.62,-20.85,;-3.37,-24.67,;-3.37,-23.13,;-4.72,-22.35,;-6.05,-23.12,;-7.53,-22.64,;-8.45,-23.9,;-9.99,-23.9,;-7.53,-25.16,;-6.05,-24.67,;-4.72,-25.44,)| Show InChI InChI=1S/C29H38N4OS/c1-2-16-33(25-13-14-26-27(19-25)35-29(30)32-26)17-15-20-7-11-24(12-8-20)31-28(34)23-10-9-21-5-3-4-6-22(21)18-23/h3-6,9-10,18,20,24-25H,2,7-8,11-17,19H2,1H3,(H2,30,32)(H,31,34)/t20-,24-,25-/m0/s1 | KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins |
ACS Med Chem Lett 2: 620-625 (2011)
Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50400515
(CHEMBL2203402)Show SMILES CCCN(CC[C@]1(O)CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,10.13,wD:26.28,6.6,(11.35,-34.66,;11.36,-33.12,;10.02,-32.35,;10.03,-30.81,;11.36,-30.04,;12.69,-30.81,;14.03,-30.05,;14.02,-31.58,;15.36,-30.83,;16.69,-30.07,;16.7,-28.53,;15.37,-27.75,;14.02,-28.51,;18.04,-27.76,;19.37,-28.54,;19.36,-30.08,;20.73,-27.8,;20.73,-26.26,;22.05,-25.5,;23.37,-26.26,;24.7,-25.49,;26.04,-26.26,;26.03,-27.81,;24.7,-28.57,;23.37,-27.79,;22.06,-28.55,;8.69,-30.04,;8.69,-28.5,;7.36,-27.72,;6.04,-28.49,;4.56,-28.01,;3.65,-29.26,;2.11,-29.26,;4.56,-30.52,;6.04,-30.04,;7.36,-30.8,)| Show InChI InChI=1S/C29H38N4O2S/c1-2-16-33(24-9-10-25-26(19-24)36-28(30)32-25)17-15-29(35)13-11-23(12-14-29)31-27(34)22-8-7-20-5-3-4-6-21(20)18-22/h3-8,18,23-24,35H,2,9-17,19H2,1H3,(H2,30,32)(H,31,34)/t23-,24-,29-/m0/s1 | KEGG
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| 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins |
ACS Med Chem Lett 2: 620-625 (2011)
Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50400516
(CHEMBL2203407)Show SMILES CCCN(CC[C@@]1(O)CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:10.13,6.6,wD:26.28,6.5,(39.39,-23.82,;39.39,-22.28,;38.06,-21.51,;38.06,-19.97,;39.39,-19.2,;40.73,-19.97,;42.06,-19.2,;42.05,-20.74,;43.39,-19.98,;44.72,-19.22,;44.73,-17.68,;43.4,-16.91,;42.06,-17.67,;46.07,-16.92,;47.4,-17.7,;47.39,-19.24,;48.77,-16.96,;48.76,-15.42,;50.08,-14.66,;51.4,-15.42,;52.73,-14.65,;54.07,-15.42,;54.06,-16.96,;52.73,-17.73,;51.4,-16.95,;50.09,-17.71,;36.73,-19.2,;36.73,-17.66,;35.4,-16.88,;34.07,-17.65,;32.59,-17.17,;31.68,-18.42,;30.14,-18.42,;32.59,-19.67,;34.07,-19.2,;35.4,-19.96,)| Show InChI InChI=1S/C29H38N4O2S/c1-2-16-33(24-9-10-25-26(19-24)36-28(30)32-25)17-15-29(35)13-11-23(12-14-29)31-27(34)22-8-7-20-5-3-4-6-21(20)18-22/h3-8,18,23-24,35H,2,9-17,19H2,1H3,(H2,30,32)(H,31,34)/t23-,24-,29+/m0/s1 | KEGG
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PC cid
PC sid
UniChem
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins |
ACS Med Chem Lett 2: 620-625 (2011)
Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50253395
(CHEMBL494309 | Naphthalene-2-carboxylic acid (4-{2...)Show SMILES CC(C)CCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:8.7,wD:27.29,11.14,(-.06,-42.89,;-1.4,-42.12,;-2.73,-42.89,;-1.39,-40.58,;-2.73,-39.81,;-2.72,-38.27,;-1.39,-37.5,;-.06,-38.27,;1.28,-37.51,;1.27,-35.97,;2.61,-35.2,;3.94,-35.98,;3.93,-37.52,;2.6,-38.28,;5.28,-35.21,;6.61,-35.98,;6.61,-37.52,;7.94,-35.21,;9.27,-35.99,;10.61,-35.22,;10.6,-33.68,;11.93,-32.91,;11.94,-31.37,;10.59,-30.6,;9.27,-31.37,;9.27,-32.91,;7.94,-33.68,;-4.06,-37.5,;-4.06,-35.95,;-5.4,-35.17,;-6.73,-35.94,;-8.21,-35.46,;-9.13,-36.72,;-10.67,-36.72,;-8.21,-37.98,;-6.73,-37.5,;-5.4,-38.27,)| Show InChI InChI=1S/C31H42N4OS/c1-21(2)15-17-35(27-13-14-28-29(20-27)37-31(32)34-28)18-16-22-7-11-26(12-8-22)33-30(36)25-10-9-23-5-3-4-6-24(23)19-25/h3-6,9-10,19,21-22,26-27H,7-8,11-18,20H2,1-2H3,(H2,32,34)(H,33,36)/t22-,26-,27-/m0/s1 | KEGG
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PC cid
PC sid
UniChem
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PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50253328
((S)-N-(4-((2-amino-4,5,6,7-tetrahydrobenzo[d]thiaz...)Show SMILES CCCN(CCCCNC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C25H32N4OS/c1-2-14-29(21-11-12-22-23(17-21)31-25(26)28-22)15-6-5-13-27-24(30)20-10-9-18-7-3-4-8-19(18)16-20/h3-4,7-10,16,21H,2,5-6,11-15,17H2,1H3,(H2,26,28)(H,27,30)/t21-/m0/s1 | PDB
Reactome pathway
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PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiperone from D2 receptor in Sprague-Dawley rat caudate-putamen |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50116766
((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...)Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1 | PDB
Reactome pathway
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PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiperone from D2 receptor in Sprague-Dawley rat caudate-putamen |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50400511
(CHEMBL2203406)Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1 | PDB
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| 3.61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]YM-09151-2 from human cloned dopamine D3 receptor expressed in CHOp cells after 60 mins by scintillation counter |
ACS Med Chem Lett 2: 620-625 (2011)
Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50253327
(CHEMBL524005 | Naphthalene-2-carboxylic acid {4-[2...)Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4ccc5ccccc5c4)C[C@H]3CCc2c1 |r,wU:15.18,wD:12.11,32.35,(2.62,-19.96,;3.96,-19.2,;5.29,-20,;5.26,-21.55,;6.58,-22.33,;7.92,-21.59,;9.24,-22.37,;9.22,-23.92,;10.56,-24.7,;11.89,-23.93,;13.22,-24.72,;14.57,-23.95,;15.89,-24.73,;15.88,-26.28,;17.22,-27.06,;18.55,-26.29,;18.56,-24.75,;17.24,-23.97,;19.89,-27.06,;21.23,-26.3,;21.23,-24.75,;22.56,-27.07,;22.55,-28.61,;23.88,-29.39,;25.22,-28.62,;26.57,-29.39,;27.9,-28.62,;27.9,-27.06,;26.56,-26.3,;25.22,-27.07,;23.89,-26.3,;11.91,-22.4,;10.58,-21.63,;10.61,-20.09,;9.29,-19.3,;7.95,-20.05,;6.63,-19.26,)| Show InChI InChI=1S/C32H39N3O2/c1-37-30-14-15-31-26(21-30)10-13-29-22-34(18-19-35(29)31)17-16-23-6-11-28(12-7-23)33-32(36)27-9-8-24-4-2-3-5-25(24)20-27/h2-5,8-9,14-15,20-21,23,28-29H,6-7,10-13,16-19,22H2,1H3,(H,33,36)/t23-,28-,29-/m1/s1 | KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50253471
(CHEMBL494510 | Naphthalene-2-carboxylic acid {4-[2...)Show SMILES Nc1nc2CC[C@@H](Cc2s1)NCC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1 |r,wU:13.14,wD:6.11,16.21,(-11.26,-.53,;-9.72,-.53,;-8.8,.73,;-7.32,.25,;-5.99,1.02,;-4.65,.24,;-4.65,-1.31,;-5.99,-2.08,;-7.32,-1.31,;-8.8,-1.79,;-3.32,-2.08,;-1.98,-1.31,;-.65,-2.08,;.69,-1.32,;.68,.22,;2.02,.99,;3.35,.21,;3.34,-1.33,;2.01,-2.09,;4.69,.98,;6.02,.21,;6.02,-1.33,;7.35,.98,;8.68,.2,;10.02,.97,;10.01,2.51,;11.34,3.28,;11.35,4.82,;10,5.59,;8.68,4.82,;8.68,3.28,;7.35,2.51,)| Show InChI InChI=1S/C26H32N4OS/c27-26-30-23-12-11-22(16-24(23)32-26)28-14-13-17-5-9-21(10-6-17)29-25(31)20-8-7-18-3-1-2-4-19(18)15-20/h1-4,7-8,15,17,21-22,28H,5-6,9-14,16H2,(H2,27,30)(H,29,31)/t17-,21-,22-/m0/s1 | KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50253470
(CHEMBL494509 | Naphthalene-2-carboxylic acid (4-{2...)Show SMILES Nc1nc2CC[C@@H](Cc2s1)N(CCC1CCCCC1)CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1 |r,wU:21.23,wD:6.11,24.30,(14.81,-38.39,;16.35,-38.39,;17.26,-37.13,;18.75,-37.61,;20.08,-36.84,;21.42,-37.62,;21.42,-39.17,;20.08,-39.94,;18.75,-39.17,;17.26,-39.65,;22.75,-39.94,;22.75,-41.48,;24.08,-42.25,;24.08,-43.79,;22.74,-44.55,;22.74,-46.08,;24.07,-46.86,;25.41,-46.1,;25.41,-44.55,;24.09,-39.17,;25.42,-39.94,;26.76,-39.18,;26.75,-37.64,;28.09,-36.87,;29.42,-37.65,;29.41,-39.19,;28.08,-39.95,;30.76,-36.88,;32.09,-37.65,;32.09,-39.19,;33.42,-36.88,;34.75,-37.66,;36.09,-36.89,;36.08,-35.35,;37.41,-34.58,;37.42,-33.04,;36.07,-32.27,;34.75,-33.04,;34.75,-34.58,;33.42,-35.35,)| Show InChI InChI=1S/C34H46N4OS/c35-34-37-31-17-16-30(23-32(31)40-34)38(20-18-24-6-2-1-3-7-24)21-19-25-10-14-29(15-11-25)36-33(39)28-13-12-26-8-4-5-9-27(26)22-28/h4-5,8-9,12-13,22,24-25,29-30H,1-3,6-7,10-11,14-21,23H2,(H2,35,37)(H,36,39)/t25-,29-,30-/m0/s1 | KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
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PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50253394
(CHEMBL494308 | Naphthalene-2-carboxylic acid (4-{2...)Show SMILES CCCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:7.6,wD:26.28,10.13,(25.45,-29.36,;24.12,-28.59,;24.12,-27.05,;22.79,-26.28,;22.79,-24.74,;24.12,-23.97,;25.46,-24.74,;26.79,-23.97,;26.78,-22.43,;28.12,-21.67,;29.46,-22.44,;29.45,-23.98,;28.11,-24.75,;30.79,-21.68,;32.12,-22.45,;32.12,-23.99,;33.46,-21.68,;34.79,-22.45,;36.12,-21.69,;36.11,-20.15,;37.45,-19.38,;37.45,-17.84,;36.11,-17.07,;34.78,-17.84,;34.78,-19.37,;33.45,-20.14,;21.46,-23.96,;21.46,-22.42,;20.11,-21.64,;18.78,-22.41,;17.3,-21.93,;16.38,-23.19,;14.84,-23.19,;17.3,-24.45,;18.78,-23.96,;20.11,-24.73,)| Show InChI InChI=1S/C30H40N4OS/c1-2-3-17-34(26-14-15-27-28(20-26)36-30(31)33-27)18-16-21-8-12-25(13-9-21)32-29(35)24-11-10-22-6-4-5-7-23(22)19-24/h4-7,10-11,19,21,25-26H,2-3,8-9,12-18,20H2,1H3,(H2,31,33)(H,32,35)/t21-,25-,26-/m0/s1 | PDB
Reactome pathway
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PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiperone from D2 receptor in Sprague-Dawley rat caudate-putamen |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50253472
(Benzofuran-2-carboxylic acid (4-{2-[((S)-2-amino-4...)Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1cc2ccccc2o1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:9.12,24.26,(22,-4.24,;22.01,-2.7,;20.67,-1.93,;20.67,-.39,;22.01,.38,;23.34,-.39,;24.68,.38,;24.67,1.92,;26.01,2.68,;27.34,1.91,;27.33,.36,;26,-.4,;28.68,2.67,;30.01,1.9,;30.01,.36,;31.34,2.67,;32.75,2.04,;33.77,3.18,;35.31,3.18,;36.08,4.51,;35.31,5.85,;33.78,5.85,;33.01,4.52,;31.5,4.2,;19.34,.38,;19.34,1.93,;18,2.71,;16.67,1.94,;15.19,2.42,;14.27,1.16,;12.73,1.16,;15.19,-.1,;16.67,.38,;18,-.38,)| Show InChI InChI=1S/C27H36N4O2S/c1-2-14-31(21-11-12-22-25(17-21)34-27(28)30-22)15-13-18-7-9-20(10-8-18)29-26(32)24-16-19-5-3-4-6-23(19)33-24/h3-6,16,18,20-21H,2,7-15,17H2,1H3,(H2,28,30)(H,29,32)/t18-,20-,21-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiperone from D2 receptor in Sprague-Dawley rat caudate-putamen |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50253393
(CHEMBL495327 | Naphthalene-2-carboxylic acid (4-{2...)Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:25.27,9.12,(-.71,-29.3,;-.71,-27.76,;-2.04,-26.99,;-2.04,-25.45,;-.71,-24.68,;.63,-25.45,;1.96,-24.68,;1.95,-23.14,;3.3,-22.38,;4.63,-23.15,;4.62,-24.69,;3.29,-25.46,;5.96,-22.39,;7.29,-23.16,;7.29,-24.7,;8.63,-22.39,;9.96,-23.16,;11.29,-22.4,;11.29,-20.86,;12.62,-20.09,;12.62,-18.55,;11.28,-17.78,;9.95,-18.55,;9.95,-20.08,;8.62,-20.85,;-3.37,-24.67,;-3.37,-23.13,;-4.72,-22.35,;-6.05,-23.12,;-7.53,-22.64,;-8.45,-23.9,;-9.99,-23.9,;-7.53,-25.16,;-6.05,-24.67,;-4.72,-25.44,)| Show InChI InChI=1S/C29H38N4OS/c1-2-16-33(25-13-14-26-27(19-25)35-29(30)32-26)17-15-20-7-11-24(12-8-20)31-28(34)23-10-9-21-5-3-4-6-22(21)18-23/h3-6,9-10,18,20,24-25H,2,7-8,11-17,19H2,1H3,(H2,30,32)(H,31,34)/t20-,24-,25-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 307 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiperone from D2 receptor in Sprague-Dawley rat caudate-putamen |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50253473
(CHEMBL492883 | N-(4-{2-[((S)-2-Amino-4,5,6,7-tetra...)Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)\C=C\c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:9.12,23.24,(-.41,-16.74,;-.41,-15.2,;-1.74,-14.43,;-1.74,-12.89,;-.41,-12.12,;.93,-12.89,;2.26,-12.12,;2.25,-10.58,;3.59,-9.82,;4.93,-10.59,;4.92,-12.14,;3.59,-12.9,;6.26,-9.83,;7.59,-10.6,;7.59,-12.14,;8.93,-9.83,;10.26,-10.6,;11.6,-9.83,;12.92,-10.61,;14.26,-9.85,;14.26,-8.3,;12.92,-7.53,;11.59,-8.3,;-3.07,-12.11,;-3.07,-10.57,;-4.42,-9.79,;-5.75,-10.56,;-7.23,-10.08,;-8.15,-11.34,;-9.69,-11.34,;-7.23,-12.6,;-5.75,-12.11,;-4.42,-12.88,)| Show InChI InChI=1S/C27H38N4OS/c1-2-17-31(23-13-14-24-25(19-23)33-27(28)30-24)18-16-21-8-11-22(12-9-21)29-26(32)15-10-20-6-4-3-5-7-20/h3-7,10,15,21-23H,2,8-9,11-14,16-19H2,1H3,(H2,28,30)(H,29,32)/b15-10+/t21-,22-,23-/m0/s1 | PDB
Reactome pathway
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PC cid
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PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiperone from D2 receptor in Sprague-Dawley rat caudate-putamen |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50253395
(CHEMBL494309 | Naphthalene-2-carboxylic acid (4-{2...)Show SMILES CC(C)CCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:8.7,wD:27.29,11.14,(-.06,-42.89,;-1.4,-42.12,;-2.73,-42.89,;-1.39,-40.58,;-2.73,-39.81,;-2.72,-38.27,;-1.39,-37.5,;-.06,-38.27,;1.28,-37.51,;1.27,-35.97,;2.61,-35.2,;3.94,-35.98,;3.93,-37.52,;2.6,-38.28,;5.28,-35.21,;6.61,-35.98,;6.61,-37.52,;7.94,-35.21,;9.27,-35.99,;10.61,-35.22,;10.6,-33.68,;11.93,-32.91,;11.94,-31.37,;10.59,-30.6,;9.27,-31.37,;9.27,-32.91,;7.94,-33.68,;-4.06,-37.5,;-4.06,-35.95,;-5.4,-35.17,;-6.73,-35.94,;-8.21,-35.46,;-9.13,-36.72,;-10.67,-36.72,;-8.21,-37.98,;-6.73,-37.5,;-5.4,-38.27,)| Show InChI InChI=1S/C31H42N4OS/c1-21(2)15-17-35(27-13-14-28-29(20-27)37-31(32)34-28)18-16-22-7-11-26(12-8-22)33-30(36)25-10-9-23-5-3-4-6-24(23)19-25/h3-6,9-10,19,21-22,26-27H,7-8,11-18,20H2,1-2H3,(H2,32,34)(H,33,36)/t22-,26-,27-/m0/s1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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| CHEMBL
PC cid
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| Article
PubMed
| 345 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiperone from D2 receptor in Sprague-Dawley rat caudate-putamen |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50253471
(CHEMBL494510 | Naphthalene-2-carboxylic acid {4-[2...)Show SMILES Nc1nc2CC[C@@H](Cc2s1)NCC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1 |r,wU:13.14,wD:6.11,16.21,(-11.26,-.53,;-9.72,-.53,;-8.8,.73,;-7.32,.25,;-5.99,1.02,;-4.65,.24,;-4.65,-1.31,;-5.99,-2.08,;-7.32,-1.31,;-8.8,-1.79,;-3.32,-2.08,;-1.98,-1.31,;-.65,-2.08,;.69,-1.32,;.68,.22,;2.02,.99,;3.35,.21,;3.34,-1.33,;2.01,-2.09,;4.69,.98,;6.02,.21,;6.02,-1.33,;7.35,.98,;8.68,.2,;10.02,.97,;10.01,2.51,;11.34,3.28,;11.35,4.82,;10,5.59,;8.68,4.82,;8.68,3.28,;7.35,2.51,)| Show InChI InChI=1S/C26H32N4OS/c27-26-30-23-12-11-22(16-24(23)32-26)28-14-13-17-5-9-21(10-6-17)29-25(31)20-8-7-18-3-1-2-4-19(18)15-20/h1-4,7-8,15,17,21-22,28H,5-6,9-14,16H2,(H2,27,30)(H,29,31)/t17-,21-,22-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiperone from D2 receptor in Sprague-Dawley rat caudate-putamen |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50253470
(CHEMBL494509 | Naphthalene-2-carboxylic acid (4-{2...)Show SMILES Nc1nc2CC[C@@H](Cc2s1)N(CCC1CCCCC1)CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1 |r,wU:21.23,wD:6.11,24.30,(14.81,-38.39,;16.35,-38.39,;17.26,-37.13,;18.75,-37.61,;20.08,-36.84,;21.42,-37.62,;21.42,-39.17,;20.08,-39.94,;18.75,-39.17,;17.26,-39.65,;22.75,-39.94,;22.75,-41.48,;24.08,-42.25,;24.08,-43.79,;22.74,-44.55,;22.74,-46.08,;24.07,-46.86,;25.41,-46.1,;25.41,-44.55,;24.09,-39.17,;25.42,-39.94,;26.76,-39.18,;26.75,-37.64,;28.09,-36.87,;29.42,-37.65,;29.41,-39.19,;28.08,-39.95,;30.76,-36.88,;32.09,-37.65,;32.09,-39.19,;33.42,-36.88,;34.75,-37.66,;36.09,-36.89,;36.08,-35.35,;37.41,-34.58,;37.42,-33.04,;36.07,-32.27,;34.75,-33.04,;34.75,-34.58,;33.42,-35.35,)| Show InChI InChI=1S/C34H46N4OS/c35-34-37-31-17-16-30(23-32(31)40-34)38(20-18-24-6-2-1-3-7-24)21-19-25-10-14-29(15-11-25)36-33(39)28-13-12-26-8-4-5-9-27(26)22-28/h4-5,8-9,12-13,22,24-25,29-30H,1-3,6-7,10-11,14-21,23H2,(H2,35,37)(H,36,39)/t25-,29-,30-/m0/s1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiperone from D2 receptor in Sprague-Dawley rat caudate-putamen |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50253393
(CHEMBL495327 | Naphthalene-2-carboxylic acid (4-{2...)Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:25.27,9.12,(-.71,-29.3,;-.71,-27.76,;-2.04,-26.99,;-2.04,-25.45,;-.71,-24.68,;.63,-25.45,;1.96,-24.68,;1.95,-23.14,;3.3,-22.38,;4.63,-23.15,;4.62,-24.69,;3.29,-25.46,;5.96,-22.39,;7.29,-23.16,;7.29,-24.7,;8.63,-22.39,;9.96,-23.16,;11.29,-22.4,;11.29,-20.86,;12.62,-20.09,;12.62,-18.55,;11.28,-17.78,;9.95,-18.55,;9.95,-20.08,;8.62,-20.85,;-3.37,-24.67,;-3.37,-23.13,;-4.72,-22.35,;-6.05,-23.12,;-7.53,-22.64,;-8.45,-23.9,;-9.99,-23.9,;-7.53,-25.16,;-6.05,-24.67,;-4.72,-25.44,)| Show InChI InChI=1S/C29H38N4OS/c1-2-16-33(25-13-14-26-27(19-25)35-29(30)32-26)17-15-20-7-11-24(12-8-20)31-28(34)23-10-9-21-5-3-4-6-22(21)18-23/h3-6,9-10,18,20,24-25H,2,7-8,11-17,19H2,1H3,(H2,30,32)(H,31,34)/t20-,24-,25-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from D1-like receptor in Sprague-Dawley rat striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50400511
(CHEMBL2203406)Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1 | PDB
Reactome pathway
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PC cid
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PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]YM-09151-2 from human cloned dopamine D2 receptor expressed in CHOp cells after 60 mins by scintillation counter |
ACS Med Chem Lett 2: 620-625 (2011)
Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50253470
(CHEMBL494509 | Naphthalene-2-carboxylic acid (4-{2...)Show SMILES Nc1nc2CC[C@@H](Cc2s1)N(CCC1CCCCC1)CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1 |r,wU:21.23,wD:6.11,24.30,(14.81,-38.39,;16.35,-38.39,;17.26,-37.13,;18.75,-37.61,;20.08,-36.84,;21.42,-37.62,;21.42,-39.17,;20.08,-39.94,;18.75,-39.17,;17.26,-39.65,;22.75,-39.94,;22.75,-41.48,;24.08,-42.25,;24.08,-43.79,;22.74,-44.55,;22.74,-46.08,;24.07,-46.86,;25.41,-46.1,;25.41,-44.55,;24.09,-39.17,;25.42,-39.94,;26.76,-39.18,;26.75,-37.64,;28.09,-36.87,;29.42,-37.65,;29.41,-39.19,;28.08,-39.95,;30.76,-36.88,;32.09,-37.65,;32.09,-39.19,;33.42,-36.88,;34.75,-37.66,;36.09,-36.89,;36.08,-35.35,;37.41,-34.58,;37.42,-33.04,;36.07,-32.27,;34.75,-33.04,;34.75,-34.58,;33.42,-35.35,)| Show InChI InChI=1S/C34H46N4OS/c35-34-37-31-17-16-30(23-32(31)40-34)38(20-18-24-6-2-1-3-7-24)21-19-25-10-14-29(15-11-25)36-33(39)28-13-12-26-8-4-5-9-27(26)22-28/h4-5,8-9,12-13,22,24-25,29-30H,1-3,6-7,10-11,14-21,23H2,(H2,35,37)(H,36,39)/t25-,29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from D1-like receptor in Sprague-Dawley rat striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50253472
(Benzofuran-2-carboxylic acid (4-{2-[((S)-2-amino-4...)Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1cc2ccccc2o1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:9.12,24.26,(22,-4.24,;22.01,-2.7,;20.67,-1.93,;20.67,-.39,;22.01,.38,;23.34,-.39,;24.68,.38,;24.67,1.92,;26.01,2.68,;27.34,1.91,;27.33,.36,;26,-.4,;28.68,2.67,;30.01,1.9,;30.01,.36,;31.34,2.67,;32.75,2.04,;33.77,3.18,;35.31,3.18,;36.08,4.51,;35.31,5.85,;33.78,5.85,;33.01,4.52,;31.5,4.2,;19.34,.38,;19.34,1.93,;18,2.71,;16.67,1.94,;15.19,2.42,;14.27,1.16,;12.73,1.16,;15.19,-.1,;16.67,.38,;18,-.38,)| Show InChI InChI=1S/C27H36N4O2S/c1-2-14-31(21-11-12-22-25(17-21)34-27(28)30-22)15-13-18-7-9-20(10-8-18)29-26(32)24-16-19-5-3-4-6-23(19)33-24/h3-6,16,18,20-21H,2,7-15,17H2,1H3,(H2,28,30)(H,29,32)/t18-,20-,21-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from D1-like receptor in Sprague-Dawley rat striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50253394
(CHEMBL494308 | Naphthalene-2-carboxylic acid (4-{2...)Show SMILES CCCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:7.6,wD:26.28,10.13,(25.45,-29.36,;24.12,-28.59,;24.12,-27.05,;22.79,-26.28,;22.79,-24.74,;24.12,-23.97,;25.46,-24.74,;26.79,-23.97,;26.78,-22.43,;28.12,-21.67,;29.46,-22.44,;29.45,-23.98,;28.11,-24.75,;30.79,-21.68,;32.12,-22.45,;32.12,-23.99,;33.46,-21.68,;34.79,-22.45,;36.12,-21.69,;36.11,-20.15,;37.45,-19.38,;37.45,-17.84,;36.11,-17.07,;34.78,-17.84,;34.78,-19.37,;33.45,-20.14,;21.46,-23.96,;21.46,-22.42,;20.11,-21.64,;18.78,-22.41,;17.3,-21.93,;16.38,-23.19,;14.84,-23.19,;17.3,-24.45,;18.78,-23.96,;20.11,-24.73,)| Show InChI InChI=1S/C30H40N4OS/c1-2-3-17-34(26-14-15-27-28(20-26)36-30(31)33-27)18-16-21-8-12-25(13-9-21)32-29(35)24-11-10-22-6-4-5-7-23(22)19-24/h4-7,10-11,19,21,25-26H,2-3,8-9,12-18,20H2,1H3,(H2,31,33)(H,32,35)/t21-,25-,26-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from D1-like receptor in Sprague-Dawley rat striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50253327
(CHEMBL524005 | Naphthalene-2-carboxylic acid {4-[2...)Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4ccc5ccccc5c4)C[C@H]3CCc2c1 |r,wU:15.18,wD:12.11,32.35,(2.62,-19.96,;3.96,-19.2,;5.29,-20,;5.26,-21.55,;6.58,-22.33,;7.92,-21.59,;9.24,-22.37,;9.22,-23.92,;10.56,-24.7,;11.89,-23.93,;13.22,-24.72,;14.57,-23.95,;15.89,-24.73,;15.88,-26.28,;17.22,-27.06,;18.55,-26.29,;18.56,-24.75,;17.24,-23.97,;19.89,-27.06,;21.23,-26.3,;21.23,-24.75,;22.56,-27.07,;22.55,-28.61,;23.88,-29.39,;25.22,-28.62,;26.57,-29.39,;27.9,-28.62,;27.9,-27.06,;26.56,-26.3,;25.22,-27.07,;23.89,-26.3,;11.91,-22.4,;10.58,-21.63,;10.61,-20.09,;9.29,-19.3,;7.95,-20.05,;6.63,-19.26,)| Show InChI InChI=1S/C32H39N3O2/c1-37-30-14-15-31-26(21-30)10-13-29-22-34(18-19-35(29)31)17-16-23-6-11-28(12-7-23)33-32(36)27-9-8-24-4-2-3-5-25(24)20-27/h2-5,8-9,14-15,20-21,23,28-29H,6-7,10-13,16-19,22H2,1H3,(H,33,36)/t23-,28-,29-/m1/s1 | PDB
Reactome pathway
KEGG
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PC cid
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UniChem
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiperone from D2 receptor in Sprague-Dawley rat caudate-putamen |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50253328
((S)-N-(4-((2-amino-4,5,6,7-tetrahydrobenzo[d]thiaz...)Show SMILES CCCN(CCCCNC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C25H32N4OS/c1-2-14-29(21-11-12-22-23(17-21)31-25(26)28-22)15-6-5-13-27-24(30)20-10-9-18-7-3-4-8-19(18)16-20/h3-4,7-10,16,21H,2,5-6,11-15,17H2,1H3,(H2,26,28)(H,27,30)/t21-/m0/s1 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from D1-like receptor in Sprague-Dawley rat striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50253473
(CHEMBL492883 | N-(4-{2-[((S)-2-Amino-4,5,6,7-tetra...)Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)\C=C\c1ccccc1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:9.12,23.24,(-.41,-16.74,;-.41,-15.2,;-1.74,-14.43,;-1.74,-12.89,;-.41,-12.12,;.93,-12.89,;2.26,-12.12,;2.25,-10.58,;3.59,-9.82,;4.93,-10.59,;4.92,-12.14,;3.59,-12.9,;6.26,-9.83,;7.59,-10.6,;7.59,-12.14,;8.93,-9.83,;10.26,-10.6,;11.6,-9.83,;12.92,-10.61,;14.26,-9.85,;14.26,-8.3,;12.92,-7.53,;11.59,-8.3,;-3.07,-12.11,;-3.07,-10.57,;-4.42,-9.79,;-5.75,-10.56,;-7.23,-10.08,;-8.15,-11.34,;-9.69,-11.34,;-7.23,-12.6,;-5.75,-12.11,;-4.42,-12.88,)| Show InChI InChI=1S/C27H38N4OS/c1-2-17-31(23-13-14-24-25(19-23)33-27(28)30-24)18-16-21-8-11-22(12-9-21)29-26(32)15-10-20-6-4-3-5-7-20/h3-7,10,15,21-23H,2,8-9,11-14,16-19H2,1H3,(H2,28,30)(H,29,32)/b15-10+/t21-,22-,23-/m0/s1 | PDB
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UniChem
Similars
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PubMed
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from D1-like receptor in Sprague-Dawley rat striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50253395
(CHEMBL494309 | Naphthalene-2-carboxylic acid (4-{2...)Show SMILES CC(C)CCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:8.7,wD:27.29,11.14,(-.06,-42.89,;-1.4,-42.12,;-2.73,-42.89,;-1.39,-40.58,;-2.73,-39.81,;-2.72,-38.27,;-1.39,-37.5,;-.06,-38.27,;1.28,-37.51,;1.27,-35.97,;2.61,-35.2,;3.94,-35.98,;3.93,-37.52,;2.6,-38.28,;5.28,-35.21,;6.61,-35.98,;6.61,-37.52,;7.94,-35.21,;9.27,-35.99,;10.61,-35.22,;10.6,-33.68,;11.93,-32.91,;11.94,-31.37,;10.59,-30.6,;9.27,-31.37,;9.27,-32.91,;7.94,-33.68,;-4.06,-37.5,;-4.06,-35.95,;-5.4,-35.17,;-6.73,-35.94,;-8.21,-35.46,;-9.13,-36.72,;-10.67,-36.72,;-8.21,-37.98,;-6.73,-37.5,;-5.4,-38.27,)| Show InChI InChI=1S/C31H42N4OS/c1-21(2)15-17-35(27-13-14-28-29(20-27)37-31(32)34-28)18-16-22-7-11-26(12-8-22)33-30(36)25-10-9-23-5-3-4-6-24(23)19-25/h3-6,9-10,19,21-22,26-27H,7-8,11-18,20H2,1-2H3,(H2,32,34)(H,33,36)/t22-,26-,27-/m0/s1 | PDB
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| Article
PubMed
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from D1-like receptor in Sprague-Dawley rat striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50253327
(CHEMBL524005 | Naphthalene-2-carboxylic acid {4-[2...)Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4ccc5ccccc5c4)C[C@H]3CCc2c1 |r,wU:15.18,wD:12.11,32.35,(2.62,-19.96,;3.96,-19.2,;5.29,-20,;5.26,-21.55,;6.58,-22.33,;7.92,-21.59,;9.24,-22.37,;9.22,-23.92,;10.56,-24.7,;11.89,-23.93,;13.22,-24.72,;14.57,-23.95,;15.89,-24.73,;15.88,-26.28,;17.22,-27.06,;18.55,-26.29,;18.56,-24.75,;17.24,-23.97,;19.89,-27.06,;21.23,-26.3,;21.23,-24.75,;22.56,-27.07,;22.55,-28.61,;23.88,-29.39,;25.22,-28.62,;26.57,-29.39,;27.9,-28.62,;27.9,-27.06,;26.56,-26.3,;25.22,-27.07,;23.89,-26.3,;11.91,-22.4,;10.58,-21.63,;10.61,-20.09,;9.29,-19.3,;7.95,-20.05,;6.63,-19.26,)| Show InChI InChI=1S/C32H39N3O2/c1-37-30-14-15-31-26(21-30)10-13-29-22-34(18-19-35(29)31)17-16-23-6-11-28(12-7-23)33-32(36)27-9-8-24-4-2-3-5-25(24)20-27/h2-5,8-9,14-15,20-21,23,28-29H,6-7,10-13,16-19,22H2,1H3,(H,33,36)/t23-,28-,29-/m1/s1 | PDB
UniProtKB/SwissProt
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| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from D1-like receptor in Sprague-Dawley rat striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50253471
(CHEMBL494510 | Naphthalene-2-carboxylic acid {4-[2...)Show SMILES Nc1nc2CC[C@@H](Cc2s1)NCC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1 |r,wU:13.14,wD:6.11,16.21,(-11.26,-.53,;-9.72,-.53,;-8.8,.73,;-7.32,.25,;-5.99,1.02,;-4.65,.24,;-4.65,-1.31,;-5.99,-2.08,;-7.32,-1.31,;-8.8,-1.79,;-3.32,-2.08,;-1.98,-1.31,;-.65,-2.08,;.69,-1.32,;.68,.22,;2.02,.99,;3.35,.21,;3.34,-1.33,;2.01,-2.09,;4.69,.98,;6.02,.21,;6.02,-1.33,;7.35,.98,;8.68,.2,;10.02,.97,;10.01,2.51,;11.34,3.28,;11.35,4.82,;10,5.59,;8.68,4.82,;8.68,3.28,;7.35,2.51,)| Show InChI InChI=1S/C26H32N4OS/c27-26-30-23-12-11-22(16-24(23)32-26)28-14-13-17-5-9-21(10-6-17)29-25(31)20-8-7-18-3-1-2-4-19(18)15-20/h1-4,7-8,15,17,21-22,28H,5-6,9-14,16H2,(H2,27,30)(H,29,31)/t17-,21-,22-/m0/s1 | PDB
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Similars
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| 6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from D1-like receptor in Sprague-Dawley rat striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50116766
((-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahy...)Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1 | PDB
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PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from D1-like receptor in Sprague-Dawley rat striatum |
J Med Chem 51: 5905-8 (2008)
Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50400511
(CHEMBL2203406)Show SMILES CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| Show InChI InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human dopamine D3 receptor expressed in CHOp cells assessed as inhibition of quinopirole-induced mitogenisis after 24 hrs |
ACS Med Chem Lett 2: 620-625 (2011)
Article DOI: 10.1021/ml200100t
BindingDB Entry DOI: 10.7270/Q2028SQ8 |
More data for this
Ligand-Target Pair | |
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