Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50040811 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)) | 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)) | 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)) | 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
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MCE
PC cid
PC sid
PDB
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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
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CHEMBL
PC cid
PC sid
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| 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)) | 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
| 0.800 | 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
(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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PC cid
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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(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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| >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(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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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 |
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Ligand-Target Pair | |
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