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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50062767'   
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)
BDBM50062767
PNG
(CHEMBL3397794)
Show SMILES COc1cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)ccc1O |r|
Show InChI InChI=1S/C26H29NO4/c1-30-24-14-18(12-13-22(24)28)16-27-21-17-31-25(15-23(21)29)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,21,23,25-29H,15-17H2,1H3/t21-,23-,25+/m1/s1
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PC sid
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Similars

Article
PubMed
34n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET


Bioorg Med Chem 23: 821-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P
More data for this
Ligand-Target Pair