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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50196229'   
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)
BDBM50196229
PNG
(CHEMBL214923 | S-(+)-N-nor-2beta-carboethoxy-3alph...)
Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2 |TLB:12:11:28:8.7,THB:3:5:28:8.7|
Show InChI InChI=1S/C23H25F2NO3/c1-2-28-23(27)21-19-12-11-18(26-19)13-20(21)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22,26H,2,11-13H2,1H3/t18?,19?,20-,21+/m0/s1
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PC sid
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Patents


Similars

Article
PubMed
563n/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