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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM22414'   
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))
BDBM22414
PNG
(5-(3,4-dichlorophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)c(Cl)c1 |TLB:0:1:4.3:7.8.6|
Show InChI InChI=1S/C24H24Cl2N2S/c1-14-3-5-15(6-4-14)18-12-17-8-10-21(28(17)2)23(18)24-27-13-22(29-24)16-7-9-19(25)20(26)11-16/h3-7,9,11,13,17-18,21,23H,8,10,12H2,1-2H3/t17-,18+,21+,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
190n/an/an/an/an/an/an/an/a



Research Triangle Institute



Assay Description
Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22414
PNG
(5-(3,4-dichlorophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)c(Cl)c1 |TLB:0:1:4.3:7.8.6|
Show InChI InChI=1S/C24H24Cl2N2S/c1-14-3-5-15(6-4-14)18-12-17-8-10-21(28(17)2)23(18)24-27-13-22(29-24)16-7-9-19(25)20(26)11-16/h3-7,9,11,13,17-18,21,23H,8,10,12H2,1-2H3/t17-,18+,21+,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.94E+3n/an/an/a 4.40E+3n/an/an/an/a



Research Triangle Institute



Assay Description
Membranes were preincubated with drugs before the addition of [125I]RTI-55. The reaction was terminated by filtration through Wallac Filtermat A filt...


J Med Chem 50: 3686-95 (2007)


Article DOI: 10.1021/jm0703035
BindingDB Entry DOI: 10.7270/Q25D8Q4T
More data for this
Ligand-Target Pair