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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 = 'BDBM50451492'   
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))		BDBM50451492
PNG
(CHEMBL2112943)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)C(C\C=C\I)C\C=C\I |r,TLB:0:1:6.7.8:4.3,16:6:1:4.3|
Show InChI InChI=1S/C23H29I2NO/c1-16-7-9-17(10-8-16)20-15-19-11-12-21(26(19)2)22(20)23(27)18(5-3-13-24)6-4-14-25/h3-4,7-10,13-14,18-22H,5-6,11-12,15H2,1-2H3/b13-3+,14-4+/t19?,20-,21?,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>1.10E+3n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter

Bioorg Med Chem Lett 12: 845-7 (2002)


BindingDB Entry DOI: 10.7270/Q25M6515
More data for this
Ligand-Target Pair