Found 23 hits Enz. Inhib. hit(s) with all data for entry = 5353 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 |
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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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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Similars
| Article PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM22165
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2 | Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
Patents
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| Article PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM22417
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3 | UniProtKB/TrEMBL
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| Article PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
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
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
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| PDB Article PubMed
| 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
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
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| 2.77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50021952
(7-Benzyl-1-ethyl-4-oxo-1,4-dihydro-[1,8]naphthyrid...)Show InChI InChI=1S/C18H16N2O3/c1-2-20-11-15(18(22)23)16(21)14-9-8-13(19-17(14)20)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,22,23) | Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 18.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM22165
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2 | PDB
KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
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| Article PubMed
| 52.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062915
(CHEMBL827 | METHYLPHENIDATE | methyl (2R)-phenyl[(...)Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank KEGG PC cid PC sid UniChem
Patents
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| Article PubMed
| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM50062915
(CHEMBL827 | METHYLPHENIDATE | methyl (2R)-phenyl[(...)Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1 | UniProtKB/TrEMBL
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CHEMBL DrugBank KEGG PC cid PC sid UniChem
Patents
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| Article PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM22417
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
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| Article PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (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 | PDB
KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| 228 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM22417
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| 505 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM50005246
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 | UniProtKB/TrEMBL
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DrugBank KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50005246
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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DrugBank KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
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
Patents
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| Article PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062915
(CHEMBL827 | METHYLPHENIDATE | methyl (2R)-phenyl[(...)Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50005246
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
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DrugBank KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM22165
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2 | UniProtKB/TrEMBL
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CHEMBL MCE PC cid PC sid UniChem
Patents
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| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Norepinephrine transporter
(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 | UniProtKB/TrEMBL
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM50021952
(7-Benzyl-1-ethyl-4-oxo-1,4-dihydro-[1,8]naphthyrid...)Show InChI InChI=1S/C18H16N2O3/c1-2-20-11-15(18(22)23)16(21)14-9-8-13(19-17(14)20)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,22,23) | UniProtKB/TrEMBL
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CHEMBL MCE PC cid PC sid UniChem
Patents
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| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine 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+ | Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine 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 | Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (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 | Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1097-102 (2002)
Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0 |
More data for this Ligand-Target Pair | |