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12 similar compounds to monomer 18471

Compile data set for download or QSAR
Wt: 378.8
BDBM18481
Wt: 392.8
BDBM18482
Wt: 406.9
BDBM18483
Wt: 344.4
BDBM18453
Wt: 316.3
BDBM18460
Wt: 330.3
BDBM18465
Wt: 316.3
BDBM18468
Wt: 344.4
BDBM18469
Wt: 392.4
BDBM18470
Wt: 406.4
BDBM18472
Wt: 360.4
BDBM18475
Wt: 360.4
BDBM18476

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 18481,18482,18483,18453,18460,18465,18468,18469,18470,18472,18475,18476   
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))
BDBM18453
PNG
(1-({4-[(2-methoxyphenyl)amino]-6-(pyrrolidin-1-yl)...)
Show SMILES COc1ccccc1Nc1nc(NCC(C)O)nc(n1)N1CCCC1
Show InChI InChI=1/C17H24N6O2/c1-12(24)11-18-15-20-16(19-13-7-3-4-8-14(13)25-2)22-17(21-15)23-9-5-6-10-23/h3-4,7-8,12,24H,5-6,9-11H2,1-2H3,(H2,18,19,20,21,22)
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n/an/a 2.07E+4n/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...


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
Glucosylceramidase


(Homo sapiens (Human))
BDBM18460
PNG
(2-{[4-(azetidin-1-yl)-6-[(2-methoxyphenyl)amino]-1...)
Show SMILES COc1ccccc1Nc1nc(NCCO)nc(n1)N1CCC1
Show InChI InChI=1S/C15H20N6O2/c1-23-12-6-3-2-5-11(12)17-14-18-13(16-7-10-22)19-15(20-14)21-8-4-9-21/h2-3,5-6,22H,4,7-10H2,1H3,(H2,16,17,18,19,20)
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n/an/a 2.31E+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...


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
Glucosylceramidase


(Homo sapiens (Human))
BDBM18465
PNG
(2-({4-[(2-methoxyphenyl)amino]-6-(pyrrolidin-1-yl)...)
Show SMILES COc1ccccc1Nc1nc(NCCO)nc(n1)N1CCCC1
Show InChI InChI=1S/C16H22N6O2/c1-24-13-7-3-2-6-12(13)18-15-19-14(17-8-11-23)20-16(21-15)22-9-4-5-10-22/h2-3,6-7,23H,4-5,8-11H2,1H3,(H2,17,18,19,20,21)
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n/an/a 1.08E+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...


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
Glucosylceramidase


(Homo sapiens (Human))
BDBM18468
PNG
(2-({4-[(2-hydroxyethyl)amino]-6-(pyrrolidin-1-yl)-...)
Show SMILES OCCNc1nc(Nc2ccccc2O)nc(n1)N1CCCC1
Show InChI InChI=1S/C15H20N6O2/c22-10-7-16-13-18-14(17-11-5-1-2-6-12(11)23)20-15(19-13)21-8-3-4-9-21/h1-2,5-6,22-23H,3-4,7-10H2,(H2,16,17,18,19,20)
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n/an/a 2.00E+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...


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
Glucosylceramidase


(Homo sapiens (Human))
BDBM18469
PNG
(2-({4-[(2-ethoxyphenyl)amino]-6-(pyrrolidin-1-yl)-...)
Show SMILES CCOc1ccccc1Nc1nc(NCCO)nc(n1)N1CCCC1
Show InChI InChI=1S/C17H24N6O2/c1-2-25-14-8-4-3-7-13(14)19-16-20-15(18-9-12-24)21-17(22-16)23-10-5-6-11-23/h3-4,7-8,24H,2,5-6,9-12H2,1H3,(H2,18,19,20,21,22)
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n/an/a 770n/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
Glucosylceramidase


(Homo sapiens (Human))
BDBM18470
PNG
(2-({4-[(2-phenoxyphenyl)amino]-6-(pyrrolidin-1-yl)...)
Show SMILES OCCNc1nc(Nc2ccccc2Oc2ccccc2)nc(n1)N1CCCC1
Show InChI InChI=1S/C21H24N6O2/c28-15-12-22-19-24-20(26-21(25-19)27-13-6-7-14-27)23-17-10-4-5-11-18(17)29-16-8-2-1-3-9-16/h1-5,8-11,28H,6-7,12-15H2,(H2,22,23,24,25,26)
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n/an/a 2.17E+4n/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
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM18482
PNG
(2-[(4-{[5-chloro-2-(propan-2-yloxy)phenyl]amino}-6...)
Show SMILES CC(C)Oc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1
Show InChI InChI=1S/C18H25ClN6O2/c1-12(2)27-15-6-5-13(19)11-14(15)21-17-22-16(20-7-10-26)23-18(24-17)25-8-3-4-9-25/h5-6,11-12,26H,3-4,7-10H2,1-2H3,(H2,20,21,22,23,24)
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PCBioAssay
n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (Human))
BDBM18475
PNG
(2-({4-[(2,5-dimethoxyphenyl)amino]-6-(pyrrolidin-1...)
Show SMILES COc1ccc(OC)c(Nc2nc(NCCO)nc(n2)N2CCCC2)c1
Show InChI InChI=1S/C17H24N6O3/c1-25-12-5-6-14(26-2)13(11-12)19-16-20-15(18-7-10-24)21-17(22-16)23-8-3-4-9-23/h5-6,11,24H,3-4,7-10H2,1-2H3,(H2,18,19,20,21,22)
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n/an/a 1.53E+3n/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
Glucosylceramidase


(Homo sapiens (Human))
BDBM18476
PNG
(2-({4-[(2,4-dimethoxyphenyl)amino]-6-(pyrrolidin-1...)
Show SMILES COc1ccc(Nc2nc(NCCO)nc(n2)N2CCCC2)c(OC)c1
Show InChI InChI=1S/C17H24N6O3/c1-25-12-5-6-13(14(11-12)26-2)19-16-20-15(18-7-10-24)21-17(22-16)23-8-3-4-9-23/h5-6,11,24H,3-4,7-10H2,1-2H3,(H2,18,19,20,21,22)
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n/an/a 4.90E+3n/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
Glucosylceramidase


(Homo sapiens (Human))
BDBM18481
PNG
(2-({4-[(5-chloro-2-ethoxyphenyl)amino]-6-(pyrrolid...)
Show SMILES CCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1
Show InChI InChI=1S/C17H23ClN6O2/c1-2-26-14-6-5-12(18)11-13(14)20-16-21-15(19-7-10-25)22-17(23-16)24-8-3-4-9-24/h5-6,11,25H,2-4,7-10H2,1H3,(H2,19,20,21,22,23)
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n/an/a 960n/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
Glucosylceramidase


(Homo sapiens (Human))
BDBM18482
PNG
(2-[(4-{[5-chloro-2-(propan-2-yloxy)phenyl]amino}-6...)
Show SMILES CC(C)Oc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1
Show InChI InChI=1S/C18H25ClN6O2/c1-12(2)27-15-6-5-13(19)11-14(15)21-17-22-16(20-7-10-26)23-18(24-17)25-8-3-4-9-25/h5-6,11-12,26H,3-4,7-10H2,1-2H3,(H2,20,21,22,23,24)
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n/an/a 3.44E+3n/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
Glucosylceramidase


(Homo sapiens (Human))
BDBM18483
PNG
(2-[(4-{[2-(tert-butoxy)-5-chlorophenyl]amino}-6-(p...)
Show SMILES CC(C)(C)Oc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1
Show InChI InChI=1S/C19H27ClN6O2/c1-19(2,3)28-15-7-6-13(20)12-14(15)22-17-23-16(21-8-11-27)24-18(25-17)26-9-4-5-10-26/h6-7,12,27H,4-5,8-11H2,1-3H3,(H2,21,22,23,24,25)
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n/an/a 1.04E+3n/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
Glucosylceramidase


(Homo sapiens (Human))
BDBM18472
PNG
(2-[(4-{[2-(benzyloxy)phenyl]amino}-6-(pyrrolidin-1...)
Show SMILES OCCNc1nc(Nc2ccccc2OCc2ccccc2)nc(n1)N1CCCC1
Show InChI InChI=1S/C22H26N6O2/c29-15-12-23-20-25-21(27-22(26-20)28-13-6-7-14-28)24-18-10-4-5-11-19(18)30-16-17-8-2-1-3-9-17/h1-5,8-11,29H,6-7,12-16H2,(H2,23,24,25,26,27)
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n/an/a 3.14E+4n/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