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BDBM18471 2-[(4-{[2-(tert-butoxy)phenyl]amino}-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)amino]ethan-1-ol::triazine scaffold, 37

SMILES: CC(C)(C)Oc1ccccc1Nc1nc(NCCO)nc(n1)N1CCCC1

InChI Key: InChIKey=YLYZGVPSUIZOCY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 18471   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucosylceramidase


(Homo sapiens (Human))
BDBM18471
PNG
(2-[(4-{[2-(tert-butoxy)phenyl]amino}-6-(pyrrolidin...)
Show SMILES CC(C)(C)Oc1ccccc1Nc1nc(NCCO)nc(n1)N1CCCC1
Show InChI InChI=1S/C19H28N6O2/c1-19(2,3)27-15-9-5-4-8-14(15)21-17-22-16(20-10-13-26)23-18(24-17)25-11-6-7-12-25/h4-5,8-9,26H,6-7,10-13H2,1-3H3,(H2,20,21,22,23,24)
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Article
PubMed
n/an/a 330n/an/an/an/an/an/a



NIH



Assay Description
Enzyme activity was determined as the production of fluorescent resorufin from the substrate. The fluorescence was measured (excitation 570 nm, emiss...


Bioorg Med Chem Lett 17: 5783-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.050
BindingDB Entry DOI: 10.7270/Q2Q81BBW
More data for this
Ligand-Target Pair