Found 11 hits Enz. Inhib. hit(s) with all data for entry = 4777 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)) | 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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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Veterans Administration Medical Center
Curated by PDSP Ki Database
| |
Brain Res 454: 78-88 (1988)
Article DOI: 10.1016/0006-8993(88)90805-0
BindingDB Entry DOI: 10.7270/Q28914C5 |
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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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Veterans Administration Medical Center
Curated by PDSP Ki Database
| |
Brain Res 454: 78-88 (1988)
Article DOI: 10.1016/0006-8993(88)90805-0
BindingDB Entry DOI: 10.7270/Q28914C5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50020707
(CHEMBL287064 | Nomelidine | Norzimelidine | [3-(4-...)Show InChI InChI=1S/C15H15BrN2/c1-17-10-8-15(13-3-2-9-18-11-13)12-4-6-14(16)7-5-12/h2-9,11,17H,10H2,1H3/b15-8- | PDB
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Veterans Administration Medical Center
Curated by PDSP Ki Database
| |
Brain Res 454: 78-88 (1988)
Article DOI: 10.1016/0006-8993(88)90805-0
BindingDB Entry DOI: 10.7270/Q28914C5 |
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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Article
PubMed
| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Veterans Administration Medical Center
Curated by PDSP Ki Database
| |
Brain Res 454: 78-88 (1988)
Article DOI: 10.1016/0006-8993(88)90805-0
BindingDB Entry DOI: 10.7270/Q28914C5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM66978
((E)-3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)...)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
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| 77.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Veterans Administration Medical Center
Curated by PDSP Ki Database
| |
Brain Res 454: 78-88 (1988)
Article DOI: 10.1016/0006-8993(88)90805-0
BindingDB Entry DOI: 10.7270/Q28914C5 |
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
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PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Veterans Administration Medical Center
Curated by PDSP Ki Database
| |
Brain Res 454: 78-88 (1988)
Article DOI: 10.1016/0006-8993(88)90805-0
BindingDB Entry DOI: 10.7270/Q28914C5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM66978
((E)-3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)...)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
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| 2.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Veterans Administration Medical Center
Curated by PDSP Ki Database
| |
Brain Res 454: 78-88 (1988)
Article DOI: 10.1016/0006-8993(88)90805-0
BindingDB Entry DOI: 10.7270/Q28914C5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50031942
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | PDB
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| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Veterans Administration Medical Center
Curated by PDSP Ki Database
| |
Brain Res 454: 78-88 (1988)
Article DOI: 10.1016/0006-8993(88)90805-0
BindingDB Entry DOI: 10.7270/Q28914C5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 | PDB
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| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Veterans Administration Medical Center
Curated by PDSP Ki Database
| |
Brain Res 454: 78-88 (1988)
Article DOI: 10.1016/0006-8993(88)90805-0
BindingDB Entry DOI: 10.7270/Q28914C5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50001955
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1 | PDB
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| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Veterans Administration Medical Center
Curated by PDSP Ki Database
| |
Brain Res 454: 78-88 (1988)
Article DOI: 10.1016/0006-8993(88)90805-0
BindingDB Entry DOI: 10.7270/Q28914C5 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
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| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Veterans Administration Medical Center
Curated by PDSP Ki Database
| |
Brain Res 454: 78-88 (1988)
Article DOI: 10.1016/0006-8993(88)90805-0
BindingDB Entry DOI: 10.7270/Q28914C5 |
More data for this
Ligand-Target Pair | |
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