Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50027137 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)) | 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)) | 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)) | 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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AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
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)) | 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
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
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
GoogleScholar
AffyNet
| 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
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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
UniProtKB/SwissProt
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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
UniProtKB/SwissProt
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AffyNet
| 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
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| 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(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
AffyNet
| 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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) | 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >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
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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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DrugBank
MCE
PC cid
PC sid
PDB
UniChem
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Similars
| Article
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 | |
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