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BDBM313416 US10167270, Example 96

SMILES: CC(C)(C)OC(=O)NCCC#Cc1ccc2CC(Cc2c1)Nc1nc(nc2ccccc12)-c1cccnc1

InChI Key: InChIKey=UAQZUGNCXFGOGL-UHFFFAOYSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 313416   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM313416
PNG
(US10167270, Example 96)
Show SMILES CC(C)(C)OC(=O)NCCC#Cc1ccc2CC(Cc2c1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C31H31N5O2/c1-31(2,3)38-30(37)33-16-7-6-9-21-13-14-22-18-25(19-24(22)17-21)34-29-26-11-4-5-12-27(26)35-28(36-29)23-10-8-15-32-20-23/h4-5,8,10-15,17,20,25H,7,16,18-19H2,1-3H3,(H,33,37)(H,34,35,36)
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US Patent
n/an/a 560n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)


BindingDB Entry DOI: 10.7270/Q2862JH8
More data for this
Ligand-Target Pair