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BDBM18428 Aminoquinoline compound, 1::N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]cyclohexanecarboxamide::NCGC00092410

SMILES: Cc1cc(nc2ccc(NC(=O)C3CCCCC3)cc12)N1CCOCC1

InChI Key: InChIKey=BXVNPOBNVRBOOV-UHFFFAOYSA-N

Data: 1 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 18428   
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))
BDBM18428
PNG
(Aminoquinoline compound, 1 | N-[4-methyl-2-(morpho...)
Show SMILES Cc1cc(nc2ccc(NC(=O)C3CCCCC3)cc12)N1CCOCC1
Show InChI InChI=1S/C21H27N3O2/c1-15-13-20(24-9-11-26-12-10-24)23-19-8-7-17(14-18(15)19)22-21(25)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H,22,25)
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Article
PubMed
21 -10.3 31n/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
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18428
PNG
(Aminoquinoline compound, 1 | N-[4-methyl-2-(morpho...)
Show SMILES Cc1cc(nc2ccc(NC(=O)C3CCCCC3)cc12)N1CCOCC1
Show InChI InChI=1S/C21H27N3O2/c1-15-13-20(24-9-11-26-12-10-24)23-19-8-7-17(14-18(15)19)22-21(25)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H,22,25)
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PC cid
PC sid
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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



National Center for Advancing Translation Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type glucocerebrosidase using 4-methylumbellifereno-Glc as substrate incubated for 5 mins prior to substrate addition measured aft...


J Med Chem 55: 5734-48 (2012)


Article DOI: 10.1021/jm300063b
BindingDB Entry DOI: 10.7270/Q2H70GZ1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18428
PNG
(Aminoquinoline compound, 1 | N-[4-methyl-2-(morpho...)
Show SMILES Cc1cc(nc2ccc(NC(=O)C3CCCCC3)cc12)N1CCOCC1
Show InChI InChI=1S/C21H27N3O2/c1-15-13-20(24-9-11-26-12-10-24)23-19-8-7-17(14-18(15)19)22-21(25)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H,22,25)
PDB
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



National Center for Advancing Translation Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type glucocerebrosidase in human spleen homogenate using 4-methylumbellifereno-Glc as substrate incubated for 5 mins prior to subs...


J Med Chem 55: 5734-48 (2012)


Article DOI: 10.1021/jm300063b
BindingDB Entry DOI: 10.7270/Q2H70GZ1
More data for this
Ligand-Target Pair