Found 184 hits Enz. Inhib. hit(s) with all data for entry = 5126 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
(Homo sapiens (Human)) | 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
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| DrugBank PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
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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| PDB PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | 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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| DrugBank PDB PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | 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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| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | UniProtKB/SwissProt
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| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
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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| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | 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 | UniProtKB/TrEMBL
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| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM35938
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3 | UniProtKB/SwissProt
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| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50005536
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2 | PDB
Reactome pathway KEGG
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| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(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
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| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM50005536
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2 | UniProtKB/TrEMBL
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| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway KEGG
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| DrugBank PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
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| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
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
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| PDB PubMed
| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | 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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| DrugBank PDB PubMed
| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | 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
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| DrugBank PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM112777
(NORTRIPTYLINE | US8629135, SW-02)Show SMILES [#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3 | UniProtKB/TrEMBL
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| 0.990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50010859
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 | PDB
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| DrugBank PDB PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | 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
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | 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
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| PDB PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM112777
(NORTRIPTYLINE | US8629135, SW-02)Show SMILES [#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3 | PDB
Reactome pathway KEGG
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| DrugBank PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50254790
((S)-Norfluoxetine | CHEMBL465123 | NORFLUOXETINE)Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1 | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50005536
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2 | PDB
Reactome pathway KEGG
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| DrugBank PubMed
| 1.93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
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
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50254790
((S)-Norfluoxetine | CHEMBL465123 | NORFLUOXETINE)Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1 | PDB
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| PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | PDB
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| DrugBank PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | 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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| PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM31046
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway KEGG
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| DrugBank PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50016900
((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...)Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+ | PDB
Reactome pathway KEGG
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50028066
(4-(3,4-Dichloro-phenyl)-1,2,3,4-tetrahydro-naphtha...)Show InChI InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16-/m0/s1 | PDB
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| PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | PDB
Reactome pathway KEGG
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| DrugBank PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50028066
(4-(3,4-Dichloro-phenyl)-1,2,3,4-tetrahydro-naphtha...)Show InChI InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16-/m0/s1 | PDB
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| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50069447
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50069447
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM85198
(CAS_127096 | Hydroxynefazodone | NSC_127096)Show SMILES CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)18-19-34-23-6-3-2-4-7-23)13-5-12-28-14-16-29(17-15-28)22-10-8-21(26)9-11-22/h2-4,6-11,20,32H,5,12-19H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM82071
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 | PDB
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| DrugBank PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM86748
(CAS_386750-22-7 | Desvenlafaxine | NSC_6918664 | O...)Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3 | PDB
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| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM85198
(CAS_127096 | Hydroxynefazodone | NSC_127096)Show SMILES CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)18-19-34-23-6-3-2-4-7-23)13-5-12-28-14-16-29(17-15-28)22-10-8-21(26)9-11-22/h2-4,6-11,20,32H,5,12-19H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | UniProtKB/TrEMBL
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| PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50010859
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 | PDB
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| PDB PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | 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
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| DrugBank PDB PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM85197
(Triazoledione)Show SMILES Clc1cccc(c1)N1CCN(CCCn2[nH]c(=O)n(CCOc3ccccc3)c2=O)CC1 Show InChI InChI=1S/C23H28ClN5O3/c24-19-6-4-7-20(18-19)27-14-12-26(13-15-27)10-5-11-29-23(31)28(22(30)25-29)16-17-32-21-8-2-1-3-9-21/h1-4,6-9,18H,5,10-17H2,(H,25,30) | UniProtKB/SwissProt
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM50010859
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | 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
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 283: 1305-22 (1997)
BindingDB Entry DOI: 10.7270/Q25Q4TMX |
More data for this Ligand-Target Pair | |