Found 476 hits with Last Name = 'setler' and Initial = 'pe' 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(1A) dopamine receptor
(RAT) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
UniProtKB/SwissProt
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MCE
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PC sid
UniChem
Similars
| PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Dopamine receptor D1 |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50028288
(6-(4-Chloro-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrol...)Show InChI InChI=1S/C18H18ClN/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12H2/t17?,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes |
J Med Chem 27: 943-6 (1984)
BindingDB Entry DOI: 10.7270/Q2VT1SPH |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50367554
(CHEMBL1743782)Show SMILES Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r| Show InChI InChI=1S/C18H18ClN/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12H2/t17-,18+/m0/s1 | Reactome pathway
KEGG
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UniChem
Similars
| PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50452190
(CHEMBL2093944)Show SMILES Br.[H][C@@]12CCCN1C[C@H](c1ccc(N)cc1)c1ccccc21 |r| Show InChI InChI=1S/C18H20N2.BrH/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17;/h1-2,4-5,7-10,17-18H,3,6,11-12,19H2;1H/t17-,18+;/m1./s1 | Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes |
J Med Chem 27: 943-6 (1984)
BindingDB Entry DOI: 10.7270/Q2VT1SPH |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50367584
(CHEMBL1743810)Show SMILES Nc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r| Show InChI InChI=1S/C18H20N2/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12,19H2/t17-,18+/m0/s1 | Reactome pathway
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50021874
(6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]iso...)Show InChI InChI=1S/C18H19N/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17/h1-5,7-10,17-18H,6,11-13H2/t17-,18+/m0/s1 | Reactome pathway
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UniChem
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| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50028277
(6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]iso...)Show SMILES [H][C@@]12CCCN1C[C@H](c1ccccc1)c1ccccc21 |r| Show InChI InChI=1S/C18H19N/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17/h1-5,7-10,17-18H,6,11-13H2/t17?,18-/m0/s1 | Reactome pathway
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| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes |
J Med Chem 27: 943-6 (1984)
BindingDB Entry DOI: 10.7270/Q2VT1SPH |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50021874
(6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]iso...)Show InChI InChI=1S/C18H19N/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17/h1-5,7-10,17-18H,6,11-13H2/t17-,18+/m0/s1 | Reactome pathway
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| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM81991
(McN-5652-X-68)Show SMILES CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12 |r| Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m1/s1 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McNeil Pharmaceutical
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 247: 1032-8 (1988)
BindingDB Entry DOI: 10.7270/Q2S75DV7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | PDB
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| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McNeil Pharmaceutical
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 247: 1032-8 (1988)
BindingDB Entry DOI: 10.7270/Q2S75DV7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Transporter
(Rattus norvegicus) | BDBM50367582
(CHEMBL1743790)Show SMILES Clc1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r| Show InChI InChI=1S/C18H18ClN/c19-14-6-3-5-13(11-14)17-12-20-10-4-9-18(20)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1 | Reactome pathway
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| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50367559
(CHEMBL1743798)Show SMILES Fc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(F)ccc12 |r| Show InChI InChI=1S/C18H17F2N/c19-13-5-3-12(4-6-13)17-11-21-9-1-2-18(21)16-10-14(20)7-8-15(16)17/h3-8,10,17-18H,1-2,9,11H2/t17-,18+/m0/s1 | Reactome pathway
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| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM81988
(McN-5652-W-68 | McN-5652-Z-68)Show SMILES CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r| Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m0/s1 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McNeil Pharmaceutical
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 247: 1032-8 (1988)
BindingDB Entry DOI: 10.7270/Q2S75DV7 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50028277
(6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]iso...)Show SMILES [H][C@@]12CCCN1C[C@H](c1ccccc1)c1ccccc21 |r| Show InChI InChI=1S/C18H19N/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17/h1-5,7-10,17-18H,6,11-13H2/t17?,18-/m0/s1 | Reactome pathway
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of serotonin (5-HT) uptake into rat brain synaptosomes |
J Med Chem 27: 943-6 (1984)
BindingDB Entry DOI: 10.7270/Q2VT1SPH |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50367560
(CHEMBL1743786)Show SMILES Clc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccc1 |r| Show InChI InChI=1S/C18H18ClN/c19-14-8-9-15-16(11-14)18-7-4-10-20(18)12-17(15)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17-18H,4,7,10,12H2/t17-,18+/m0/s1 | Reactome pathway
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PC sid
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| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50021887
(6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...)Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m0/s1 | PDB
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| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM35229
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 | Reactome pathway
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| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes |
J Med Chem 27: 943-6 (1984)
BindingDB Entry DOI: 10.7270/Q2VT1SPH |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50021896
(6-(3-Methoxy-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)Show InChI InChI=1S/C19H21NO/c1-21-15-7-4-6-14(12-15)18-13-20-11-5-10-19(20)17-9-3-2-8-16(17)18/h2-4,6-9,12,18-19H,5,10-11,13H2,1H3/t18-,19+/m0/s1 | Reactome pathway
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| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM35229
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 | Reactome pathway
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| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50021900
(6-(3,4-Dichloro-phenyl)-1,2,3,5,6,10b-hexahydro-py...)Show SMILES Clc1ccc(cc1Cl)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C18H17Cl2N/c19-16-8-7-12(10-17(16)20)15-11-21-9-3-6-18(21)14-5-2-1-4-13(14)15/h1-2,4-5,7-8,10,15,18H,3,6,9,11H2/t15-,18+/m0/s1 | Reactome pathway
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| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50028276
(6-(3,4-Dichloro-phenyl)-1,2,3,5,6,10b-hexahydro-py...)Show InChI InChI=1S/C18H17Cl2N/c19-16-8-7-12(10-17(16)20)15-11-21-9-3-6-18(21)14-5-2-1-4-13(14)15/h1-2,4-5,7-8,10,15,18H,3,6,9,11H2/t15?,18-/m0/s1 | Reactome pathway
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| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes |
J Med Chem 27: 943-6 (1984)
BindingDB Entry DOI: 10.7270/Q2VT1SPH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50367569
(CHEMBL1743775)Show SMILES CSc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r| Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19-/m0/s1 | PDB
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| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes |
J Med Chem 27: 943-6 (1984)
BindingDB Entry DOI: 10.7270/Q2VT1SPH |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50028280
(4-(1,2,3,5,6,10b-Hexahydro-pyrrolo[2,1-a]isoquinol...)Show InChI InChI=1S/C18H19NO/c20-14-9-7-13(8-10-14)17-12-19-11-3-6-18(19)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18,20H,3,6,11-12H2/t17?,18-/m0/s1 | Reactome pathway
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes |
J Med Chem 27: 943-6 (1984)
BindingDB Entry DOI: 10.7270/Q2VT1SPH |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50367568
(CHEMBL1743785)Show SMILES Oc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r| Show InChI InChI=1S/C18H19NO/c20-14-9-7-13(8-10-14)17-12-19-11-3-6-18(19)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18,20H,3,6,11-12H2/t17-,18+/m0/s1 | Reactome pathway
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| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards Dopamine receptor D2 |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50028287
(6-(4-Methoxy-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)Show InChI InChI=1S/C19H21NO/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18?,19-/m0/s1 | Reactome pathway
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| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes |
J Med Chem 27: 943-6 (1984)
BindingDB Entry DOI: 10.7270/Q2VT1SPH |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50367558
(CHEMBL1743794)Show SMILES COc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r| Show InChI InChI=1S/C19H21NO/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m0/s1 | Reactome pathway
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| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50367575
(CHEMBL1743819)Show SMILES Oc1ccc(cc1O)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r| Show InChI InChI=1S/C18H19NO2/c20-17-8-7-12(10-18(17)21)15-11-19-9-3-6-16(19)14-5-2-1-4-13(14)15/h1-2,4-5,7-8,10,15-16,20-21H,3,6,9,11H2/t15-,16+/m0/s1 | Reactome pathway
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| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50028286
(4-(1,2,3,5,6,10b-Hexahydro-pyrrolo[2,1-a]isoquinol...)Show InChI InChI=1S/C18H19NO2/c20-17-8-7-12(10-18(17)21)15-11-19-9-3-6-16(19)14-5-2-1-4-13(14)15/h1-2,4-5,7-8,10,15-16,20-21H,3,6,9,11H2/t15?,16-/m0/s1 | Reactome pathway
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| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes |
J Med Chem 27: 943-6 (1984)
BindingDB Entry DOI: 10.7270/Q2VT1SPH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1 | PDB
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McNeil Pharmaceutical
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 247: 1032-8 (1988)
BindingDB Entry DOI: 10.7270/Q2S75DV7 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50367587
(CHEMBL1743793)Show SMILES Oc1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r| Show InChI InChI=1S/C18H19NO/c20-14-6-3-5-13(11-14)17-12-19-10-4-9-18(19)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18,20H,4,9-10,12H2/t17-,18+/m0/s1 | Reactome pathway
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| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | PDB
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| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50367584
(CHEMBL1743810)Show SMILES Nc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r| Show InChI InChI=1S/C18H20N2/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12,19H2/t17-,18+/m0/s1 | Reactome pathway
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| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50452190
(CHEMBL2093944)Show SMILES Br.[H][C@@]12CCCN1C[C@H](c1ccc(N)cc1)c1ccccc21 |r| Show InChI InChI=1S/C18H20N2.BrH/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17;/h1-2,4-5,7-10,17-18H,3,6,11-12,19H2;1H/t17-,18+;/m1./s1 | Reactome pathway
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| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of dopamine (DA) uptake into rat brain synaptosomes |
J Med Chem 27: 943-6 (1984)
BindingDB Entry DOI: 10.7270/Q2VT1SPH |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50021897
(6-(4-Ethynyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)Show InChI InChI=1S/C20H19N/c1-2-15-9-11-16(12-10-15)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h1,3-4,6-7,9-12,19-20H,5,8,13-14H2/t19-,20+/m0/s1 | Reactome pathway
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| 0.940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50452192
(CHEMBL2093945)Show SMILES Cl.[H][C@@]12CCCN1C[C@H](c1cccc(c1)C(F)(F)F)c1ccccc21 |r| Show InChI InChI=1S/C19H18F3N.ClH/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17;/h1-3,5-8,11,17-18H,4,9-10,12H2;1H/t17-,18+;/m1./s1 | Reactome pathway
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| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes |
J Med Chem 27: 943-6 (1984)
BindingDB Entry DOI: 10.7270/Q2VT1SPH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50021900
(6-(3,4-Dichloro-phenyl)-1,2,3,5,6,10b-hexahydro-py...)Show SMILES Clc1ccc(cc1Cl)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C18H17Cl2N/c19-16-8-7-12(10-17(16)20)15-11-21-9-3-6-18(21)14-5-2-1-4-13(14)15/h1-2,4-5,7-8,10,15,18H,3,6,9,11H2/t15-,18+/m0/s1 | Reactome pathway
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| 0.990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50028276
(6-(3,4-Dichloro-phenyl)-1,2,3,5,6,10b-hexahydro-py...)Show InChI InChI=1S/C18H17Cl2N/c19-16-8-7-12(10-17(16)20)15-11-21-9-3-6-18(21)14-5-2-1-4-13(14)15/h1-2,4-5,7-8,10,15,18H,3,6,9,11H2/t15?,18-/m0/s1 | Reactome pathway
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| 0.990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of dopamine (DA) uptake into rat brain synaptosomes |
J Med Chem 27: 943-6 (1984)
BindingDB Entry DOI: 10.7270/Q2VT1SPH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50021897
(6-(4-Ethynyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)Show InChI InChI=1S/C20H19N/c1-2-15-9-11-16(12-10-15)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h1,3-4,6-7,9-12,19-20H,5,8,13-14H2/t19-,20+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Serotonin 2 (5-HT2) receptor
(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...) | BDBM31005
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor at 1.0 uM concentration |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50367563
(CHEMBL1743824)Show InChI InChI=1S/C19H21N/c1-19(15-8-3-2-4-9-15)14-20-13-7-12-18(20)16-10-5-6-11-17(16)19/h2-6,8-11,18H,7,12-14H2,1H3/t18-,19+/m0/s1 | Reactome pathway
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50367557
(CHEMBL1743767)Show SMILES C1C[C@@H]2N(C1)C[C@@H](c1sccc21)c1ccccc1 |r| Show InChI InChI=1S/C16H17NS/c1-2-5-12(6-3-1)14-11-17-9-4-7-15(17)13-8-10-18-16(13)14/h1-3,5-6,8,10,14-15H,4,7,9,11H2/t14-,15+/m1/s1 | Reactome pathway
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50021898
(6-(4-Fluoro-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrol...)Show InChI InChI=1S/C18H18FN/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12H2/t17-,18+/m0/s1 | Reactome pathway
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50021912
(6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahyd...)Show SMILES FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1 | Reactome pathway
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50367561
(CHEMBL1743791)Show SMILES Brc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r| Show InChI InChI=1S/C18H18BrN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1 | Reactome pathway
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50367554
(CHEMBL1743782)Show SMILES Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r| Show InChI InChI=1S/C18H18ClN/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12H2/t17-,18+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50028288
(6-(4-Chloro-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrol...)Show InChI InChI=1S/C18H18ClN/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12H2/t17?,18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of serotonin (5-HT) uptake into rat brain synaptosomes |
J Med Chem 27: 943-6 (1984)
BindingDB Entry DOI: 10.7270/Q2VT1SPH |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50021912
(6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahyd...)Show SMILES FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1 | Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50367554
(CHEMBL1743782)Show SMILES Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r| Show InChI InChI=1S/C18H18ClN/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12H2/t17-,18+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes |
J Med Chem 30: 1433-54 (1987)
BindingDB Entry DOI: 10.7270/Q2D50NJ3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50028287
(6-(4-Methoxy-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)Show InChI InChI=1S/C19H21NO/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18?,19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of serotonin (5-HT) uptake into rat brain synaptosomes |
J Med Chem 27: 943-6 (1984)
BindingDB Entry DOI: 10.7270/Q2VT1SPH |
More data for this
Ligand-Target Pair | |
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