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BDBM18434 4-methyl-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide::Aminoquinoline compound, 19

SMILES: CC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCCCC1

InChI Key: InChIKey=RPWUBFVSFLXRCB-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 18434   
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
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18434
PNG
(4-methyl-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-...)
Show SMILES CC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCCCC1 |(-13.5,6.68,;-12.12,6,;-10.84,6.85,;-9.46,6.17,;-9.36,4.63,;-10.64,3.78,;-12.02,4.46,;-8.03,3.86,;-8.03,2.32,;-6.69,4.63,;-5.36,3.86,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,;-.02,2.32,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,;1.31,1.55,;1.31,.01,;2.64,-.76,;3.98,.01,;3.98,1.55,;2.64,2.32,)|
Show InChI InChI=1S/C23H31N3O/c1-16-6-8-18(9-7-16)23(27)24-19-10-11-21-20(15-19)17(2)14-22(25-21)26-12-4-3-5-13-26/h10-11,14-16,18H,3-9,12-13H2,1-2H3,(H,24,27)
PDB
MMDB

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Similars

Article
PubMed
184 -9.06 452n/an/an/an/a5.921



NIH



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


Proc Natl Acad Sci U S A 104: 13192-7 (2007)


Article DOI: 10.1073/pnas.0705637104
BindingDB Entry DOI: 10.7270/Q2V1232M
More data for this
Ligand-Target Pair