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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50020706'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50020706
PNG
(CHEMBL37744 | ZIMELIDINE | Zimeldine | [3-(4-Bromo...)
Show SMILES CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1
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-
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56.7n/an/an/an/an/an/an/an/a



Boots Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 32: 737-43 (1993)


Article DOI: 10.1016/0028-3908(93)90181-2
BindingDB Entry DOI: 10.7270/Q22J69D4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50020706
PNG
(CHEMBL37744 | ZIMELIDINE | Zimeldine | [3-(4-Bromo...)
Show SMILES CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1
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-
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65.4n/an/an/an/an/an/an/an/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
PNG
(CHEMBL37744 | ZIMELIDINE | Zimeldine | [3-(4-Bromo...)
Show SMILES CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1
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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67.6n/an/an/an/an/an/an/an/a



Boots Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 32: 737-43 (1993)


Article DOI: 10.1016/0028-3908(93)90181-2
BindingDB Entry DOI: 10.7270/Q22J69D4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50020706
PNG
(CHEMBL37744 | ZIMELIDINE | Zimeldine | [3-(4-Bromo...)
Show SMILES CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1
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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67.6n/an/an/an/an/an/an/an/a



University of Turku

Curated by PDSP Ki Database




Psychopharmacology (Berl) 126: 234-40 (1996)


Article DOI: 10.1007/bf02246453
BindingDB Entry DOI: 10.7270/Q2BP0192
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50020706
PNG
(CHEMBL37744 | ZIMELIDINE | Zimeldine | [3-(4-Bromo...)
Show SMILES CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1
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-
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152n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Eur J Pharmacol 340: 249-58 (1997)


Article DOI: 10.1016/s0014-2999(97)01393-9
BindingDB Entry DOI: 10.7270/Q2V69H3D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50020706
PNG
(CHEMBL37744 | ZIMELIDINE | Zimeldine | [3-(4-Bromo...)
Show SMILES CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1
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-
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4.50E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 226: 686-700 (1983)


BindingDB Entry DOI: 10.7270/Q2XP73D5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50020706
PNG
(CHEMBL37744 | ZIMELIDINE | Zimeldine | [3-(4-Bromo...)
Show SMILES CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1
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-
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n/an/a 4.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in synaptosomal preparation from rat corpus striatum, using [3H]5-HT


J Med Chem 27: 1508-15 (1984)


BindingDB Entry DOI: 10.7270/Q2WS8TTB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50020706
PNG
(CHEMBL37744 | ZIMELIDINE | Zimeldine | [3-(4-Bromo...)
Show SMILES CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1
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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n/an/a 6.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of accumulation of [14C]-5-HT (5-HT) in mouse brain slices


J Med Chem 24: 1499-507 (1982)


BindingDB Entry DOI: 10.7270/Q2BG2N05
More data for this
Ligand-Target Pair