Found 64 hits Enz. Inhib. hit(s) with all data for entry = 4773 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 |
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
KEGG
UniProtKB/SwissProt
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PC cid PC sid UniChem
Similars
| PubMed
| 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
KEGG
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| PDB PubMed
| 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) |
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
KEGG
UniProtKB/SwissProt
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| PubMed
| 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 | |
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
KEGG
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| PubMed
| 0.850 | 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)) | BDBM50029150
(3-(2-Piperidin-4-yl-ethyl)-1H-indole | CHEMBL27652...)Show InChI InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2 | PDB
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| PubMed
| 1.72 | 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 | |
Norepinephrine transporter
(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 | UniProtKB/TrEMBL
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| PubMed
| 1.82 | 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 | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50073444
(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2...)Show InChI InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
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| PubMed
| 1.94 | 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)) | BDBM81987
(CHEMBL116048 | McN-5652-15)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 | PDB
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| PubMed
| 2.01 | 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)) | BDBM25870
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3 | PDB
KEGG
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
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| PDB PubMed
| 2.71 | 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) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM81989
(CAS_68717 | Clovoxamine | NSC_68717)Show InChI InChI=1S/C14H21ClN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11,16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
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PC cid PC sid UniChem
Patents
| PubMed
| 2.76 | 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 | |
Norepinephrine transporter
(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 | UniProtKB/TrEMBL
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Similars
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| 3.04 | 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)) | BDBM50028091
((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)Show InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+ | PDB
KEGG
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 3.08 | 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) |
Norepinephrine transporter
(RAT) | BDBM81987
(CHEMBL116048 | McN-5652-15)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 | UniProtKB/TrEMBL
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CHEMBL PC cid PC sid UniChem
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| 3.29 | 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 | |
Norepinephrine transporter
(RAT) | BDBM81989
(CAS_68717 | Clovoxamine | NSC_68717)Show InChI InChI=1S/C14H21ClN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11,16H2,1H3 | UniProtKB/TrEMBL
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PC cid PC sid UniChem
Patents
| PubMed
| 6.60 | 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)) | BDBM50014247
((3R,4S)-3-(4-Methoxy-phenoxymethyl)-1-methyl-4-phe...)Show InChI InChI=1S/C20H25NO2/c1-21-13-12-20(16-6-4-3-5-7-16)17(14-21)15-23-19-10-8-18(22-2)9-11-19/h3-11,17,20H,12-15H2,1-2H3/t17-,20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 9.08 | 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 | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM77970
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 9.42 | 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)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | PDB
KEGG
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 10.8 | 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 | |
Norepinephrine transporter
(RAT) | BDBM77970
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3 | UniProtKB/TrEMBL
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| 14.6 | 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)) | BDBM81990
(McN-5655-Z-14)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
KEGG
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PC cid PC sid UniChem
Similars
| PubMed
| 16.6 | 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 | |
Norepinephrine transporter
(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 | UniProtKB/TrEMBL
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 22.2 | 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 dopamine 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 | Reactome pathway KEGG
UniProtKB/SwissProt
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PC cid PC sid UniChem
Similars
| PubMed
| 23.5 | 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 dopamine 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 | Reactome pathway KEGG
UniProtKB/SwissProt
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PC cid PC sid UniChem
Similars
| PubMed
| 41.2 | 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 | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50029150
(3-(2-Piperidin-4-yl-ethyl)-1H-indole | CHEMBL27652...)Show InChI InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 50.2 | 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 | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM77970
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3 | PDB
KEGG
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| PubMed
| 51.4 | 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)) | 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
KEGG
UniProtKB/SwissProt
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PC cid PC sid UniChem
Similars
| PubMed
| 58.4 | 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)) | BDBM50020706
(CHEMBL37744 | ZIMELIDINE | Zimeldine | [3-(4-Bromo...)Show InChI InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9- | PDB
KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 65.4 | 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 dopamine transporter
(Rattus norvegicus (rat)) | BDBM81987
(CHEMBL116048 | McN-5652-15)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 | Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| 69.8 | 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 dopamine 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 | Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| 78.3 | 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 | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50073444
(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2...)Show InChI InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2 | PDB
KEGG
UniProtKB/SwissProt
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| PubMed
| 84 | 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 | |
Norepinephrine transporter
(RAT) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | UniProtKB/TrEMBL
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| PubMed
| 85.3 | 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)) | BDBM50073444
(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2...)Show InChI InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2 | PDB
KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
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| PubMed
| 112 | 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 | |
Norepinephrine transporter
(RAT) | BDBM50014247
((3R,4S)-3-(4-Methoxy-phenoxymethyl)-1-methyl-4-phe...)Show InChI InChI=1S/C20H25NO2/c1-21-13-12-20(16-6-4-3-5-7-16)17(14-21)15-23-19-10-8-18(22-2)9-11-19/h3-11,17,20H,12-15H2,1-2H3/t17-,20-/m1/s1 | UniProtKB/TrEMBL
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| 121 | 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 | |
Norepinephrine transporter
(RAT) | BDBM81990
(McN-5655-Z-14)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 | UniProtKB/TrEMBL
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| 127 | 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 | |
5-hydroxytryptamine receptor 2A
(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
Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| 142 | 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 | |
Norepinephrine transporter
(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 | UniProtKB/TrEMBL
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| 159 | 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 | |
5-hydroxytryptamine receptor 2A
(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
Reactome pathway KEGG
UniProtKB/SwissProt
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PC cid PC sid UniChem
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| PubMed
| 208 | 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 | |
Alpha-1A adrenergic receptor
(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
KEGG
UniProtKB/SwissProt
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PC cid PC sid UniChem
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| PubMed
| 213 | 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 | |
Alpha-1A adrenergic receptor
(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
KEGG
UniProtKB/SwissProt
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PC cid PC sid UniChem
Similars
| PubMed
| 274 | 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 | |
Norepinephrine transporter
(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 | UniProtKB/TrEMBL
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PC cid PC sid UniChem
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| 280 | 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 | |
Norepinephrine transporter
(RAT) | BDBM50028091
((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)Show InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+ | UniProtKB/TrEMBL
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
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| PubMed
| 299 | 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 | |
Alpha-1A adrenergic receptor
(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
KEGG
UniProtKB/SwissProt
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PC cid PC sid UniChem
Similars
| PubMed
| 314 | 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 dopamine transporter
(Rattus norvegicus (rat)) | BDBM81989
(CAS_68717 | Clovoxamine | NSC_68717)Show InChI InChI=1S/C14H21ClN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11,16H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| 462 | 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 | |
Norepinephrine transporter
(RAT) | BDBM50029150
(3-(2-Piperidin-4-yl-ethyl)-1H-indole | CHEMBL27652...)Show InChI InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2 | UniProtKB/TrEMBL
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| 513 | 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 dopamine 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 | Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 540 | 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 | |
5-hydroxytryptamine receptor 2A
(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
Reactome pathway KEGG
UniProtKB/SwissProt
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PC cid PC sid UniChem
Similars
| PubMed
| 939 | 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 | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM81989
(CAS_68717 | Clovoxamine | NSC_68717)Show InChI InChI=1S/C14H21ClN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11,16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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PC cid PC sid UniChem
Patents
| PubMed
| 1.00E+3 | 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 | |
5-hydroxytryptamine receptor 2A
(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
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| 1.00E+3 | 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 | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 1.00E+3 | 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 | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM25870
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 1.00E+3 | 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 | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 1.00E+3 | 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 | |