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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50296876'   
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


(Homo sapiens (Human))		BDBM50296876
PNG
((4-(6-chloropyridin-3-yl)-4-phenylpiperidin-1-yl)(...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(Cl)nc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C34H42ClN3O2/c1-24(25-10-14-29(40-4)15-11-25)37-28-13-16-30(33(2,3)22-28)32(39)38-20-18-34(19-21-38,26-8-6-5-7-9-26)27-12-17-31(35)36-23-27/h5-12,14-15,17,23-24,28,30,37H,13,16,18-22H2,1-4H3/t24-,28-,30+/m1/s1
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Similars
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting

Bioorg Med Chem Lett 19: 4781-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.050
BindingDB Entry DOI: 10.7270/Q2319VXR
More data for this
Ligand-Target Pair