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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50014226   
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 dopamine transporter


(MOUSE)
BDBM50014226
PNG
(10-Chloro-6-(4-methylsulfanyl-phenyl)-1,2,3,5,6,10...)
Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2c(Cl)cccc12
Show InChI InChI=1S/C19H20ClNS/c1-22-14-9-7-13(8-10-14)16-12-21-11-3-6-18(21)19-15(16)4-2-5-17(19)20/h2,4-5,7-10,16,18H,3,6,11-12H2,1H3/t16?,18-/m1/s1
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PC sid
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3n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for serotonin(5-HT) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(MOUSE)
BDBM50014226
PNG
(10-Chloro-6-(4-methylsulfanyl-phenyl)-1,2,3,5,6,10...)
Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2c(Cl)cccc12
Show InChI InChI=1S/C19H20ClNS/c1-22-14-9-7-13(8-10-14)16-12-21-11-3-6-18(21)19-15(16)4-2-5-17(19)20/h2,4-5,7-10,16,18H,3,6,11-12H2,1H3/t16?,18-/m1/s1
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UniProtKB/SwissProt

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PC sid
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PubMed
23n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for norepinephrine (NE) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(MOUSE)
BDBM50014226
PNG
(10-Chloro-6-(4-methylsulfanyl-phenyl)-1,2,3,5,6,10...)
Show SMILES CSc1ccc(cc1)C1CN2CCC[C@@H]2c2c(Cl)cccc12
Show InChI InChI=1S/C19H20ClNS/c1-22-14-9-7-13(8-10-14)16-12-21-11-3-6-18(21)19-15(16)4-2-5-17(19)20/h2,4-5,7-10,16,18H,3,6,11-12H2,1H3/t16?,18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
290n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for dopamine(DA) neuronal uptake inhibition


J Med Chem 33: 2793-7 (1990)


BindingDB Entry DOI: 10.7270/Q27S7PB4
More data for this
Ligand-Target Pair