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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 = 'BDBM50296875'   
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))		BDBM50296875
PNG
(CHEMBL556915 | N-(4-((1R,4R)-4-((R)-1-(4-methoxyph...)
Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(NC(C)=O)c2ccccc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C32H44N2O3/c1-22(24-11-14-28(37-5)15-12-24)33-27-13-16-29(31(3,4)21-27)30(36)25-17-19-32(20-18-25,34-23(2)35)26-9-7-6-8-10-26/h6-12,14-15,22,25,27,29,33H,13,16-21H2,1-5H3,(H,34,35)/t22-,25?,27-,29+,32?/m1/s1
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Similars
Article
PubMed
n/an/a 26n/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