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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 = 'BDBM50177769'   
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))		BDBM50177769
PNG
(CHEMBL198842 | [1-(3-{2-[3-(3,4-Dichloro-phenyl)-2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCNC(=O)CCC[N+]1=c2cc3c(=Cc4ccc(cc4C3(C)C)N(C)C)cc2CCC1 |c:31,35,TLB:20:19:6.7:4.10.9,THB:2:4:19:6.7|
Show InChI InChI=1S/C42H50Cl2N4O3/c1-42(2)33-24-30(46(3)4)12-10-27(33)20-29-21-28-8-6-17-47(38(28)25-34(29)42)18-7-9-39(49)45-16-19-48-31-13-15-37(48)40(41(50)51-5)32(23-31)26-11-14-35(43)36(44)22-26/h10-12,14,20-22,24-25,31-32,37,40H,6-9,13,15-19,23H2,1-5H3/p+1
PDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
 227n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human SERT expressed in COS7 cells

J Med Chem 48: 7513-6 (2005)


Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM
More data for this
Ligand-Target Pair