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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50196222'   
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
Transporter


(Rattus norvegicus)		BDBM50196222
PNG
(CHEMBL413927 | S-(+)-2beta-(2'-(methoxycarbonyl)et...)
Show SMILES COC(=O)\C=C\[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:13:12:29:9.8,THB:5:6:29:9.8|
Show InChI InChI=1S/C25H27F2NO3/c1-28-20-11-13-22(28)21(12-14-24(29)30-2)23(15-20)31-25(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,12,14,20-23,25H,11,13,15H2,1-2H3/b14-12+/t20?,21-,22?,23+/m1/s1
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 269n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET 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