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8 similar compounds to monomer 18433

Compile data set for download or QSAR
Wt: 353.4
BDBM18428
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Wt: 367.4
BDBM18430
Wt: 395.5
BDBM18431
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Wt: 365.5
BDBM18434
Wt: 353.5
BDBM18435
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Wt: 444.5
BDBM18436
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Wt: 467.6
BDBM96159
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Wt: 408.5
BDBM50336473

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 18428,18430,18431,18434,18435,18436,96159,50336473   
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))
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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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
Glucosylceramidase


(Homo sapiens (Human))
BDBM18431
PNG
(Aminoquinoline compound, 16 | N-[4-methyl-2-(morph...)
Show SMILES CCCC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCOCC1
Show InChI InChI=1S/C24H33N3O2/c1-3-4-18-5-7-19(8-6-18)24(28)25-20-9-10-22-21(16-20)17(2)15-23(26-22)27-11-13-29-14-12-27/h9-10,15-16,18-19H,3-8,11-14H2,1-2H3,(H,25,28)
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55 -9.76 133n/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
Glucosylceramidase


(Homo sapiens (Human))
BDBM18430
PNG
(4-methyl-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-...)
Show SMILES CC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCOCC1
Show InChI InChI=1S/C22H29N3O2/c1-15-3-5-17(6-4-15)22(26)23-18-7-8-20-19(14-18)16(2)13-21(24-20)25-9-11-27-12-10-25/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,23,26)
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56 -9.75 63n/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
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
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)
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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
Glucosylceramidase


(Homo sapiens (Human))
BDBM18435
PNG
(Aminoquinoline compound, 20 | N-[2-(diethylamino)-...)
Show SMILES CCN(CC)c1cc(C)c2cc(NC(=O)C3CCC(C)CC3)ccc2n1
Show InChI InChI=1S/C22H31N3O/c1-5-25(6-2)21-13-16(4)19-14-18(11-12-20(19)24-21)23-22(26)17-9-7-15(3)8-10-17/h11-15,17H,5-10H2,1-4H3,(H,23,26)
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514 -8.46 1.06E+3n/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
Glucosylceramidase


(Homo sapiens (Human))
BDBM18436
PNG
(4-methyl-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazi...)
Show SMILES CC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C26H32N6O/c1-18-4-6-20(7-5-18)25(33)29-21-8-9-23-22(17-21)19(2)16-24(30-23)31-12-14-32(15-13-31)26-27-10-3-11-28-26/h3,8-11,16-18,20H,4-7,12-15H2,1-2H3,(H,29,33)
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PubMed
975 -8.08 2.45E+3n/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
Fructose-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))
BDBM96159
PNG
(MLS000730301 | N-[3-(diethylamino)propyl]-N'-[...)
Show SMILES CCN(CC)CCCNC(=O)CCC(=O)Nc1ccc2nc(cc(C)c2c1)N1CCC(C)CC1
Show InChI InChI=1S/C27H41N5O2/c1-5-31(6-2)15-7-14-28-26(33)10-11-27(34)29-22-8-9-24-23(19-22)21(4)18-25(30-24)32-16-12-20(3)13-17-32/h8-9,18-20H,5-7,10-17H2,1-4H3,(H,28,33)(H,29,34)
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n/an/a>370n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q25719N6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50336473
PNG
(CHEMBL1668494 | N1-cyclohexyl-N4-(4-methyl-2-(pyrr...)
Show SMILES Cc1cc(nc2ccc(NC(=O)CCC(=O)NC3CCCCC3)cc12)N1CCCC1
Show InChI InChI=1S/C24H32N4O2/c1-17-15-22(28-13-5-6-14-28)27-21-10-9-19(16-20(17)21)26-24(30)12-11-23(29)25-18-7-3-2-4-8-18/h9-10,15-16,18H,2-8,11-14H2,1H3,(H,25,29)(H,26,30)
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
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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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
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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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