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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 = 'BDBM50196221'   
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))		BDBM50196221
PNG
(CHEMBL217022 | S-(+)-2beta-carboethoxy-3alpha-[bis...)
Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C |TLB:12:11:28:8.7,THB:3:5:28:8.7|
Show InChI InChI=1S/C24H27Cl2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3/t19?,20?,21-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.56E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain

J Med Chem 49: 6391-9 (2006)


Article DOI: 10.1021/jm060762q
BindingDB Entry DOI: 10.7270/Q2WD41D4
More data for this
Ligand-Target Pair