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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 = 'BDBM50099233'   
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))		BDBM50099233
PNG
(1-[3-(6-Isopropyl-naphthalen-2-yl)-8-methyl-8-aza-...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3cc(ccc3c1)C(C)C)N2C |TLB:25:24:4.10.9:6.7,THB:11:10:24:6.7,2:4:24:6.7|
Show InChI InChI=1S/C24H31NO/c1-5-23(26)24-21(14-20-10-11-22(24)25(20)4)19-9-8-17-12-16(15(2)3)6-7-18(17)13-19/h6-9,12-13,15,20-22,24H,5,10-11,14H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.97n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Affinity for the displacement of [3H]-paroxetine binding to serotonin transporter (SERT) in rat frontal cortex membranes

J Med Chem 44: 1509-15 (2001)


BindingDB Entry DOI: 10.7270/Q2H1318R
More data for this
Ligand-Target Pair