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19 similar compounds to monomer 50311583

Compile data set for download or QSAR
Wt: 368.4
BDBM50311572
Wt: 368.4
BDBM50311574
Wt: 354.3
BDBM50311575
Wt: 390.4
BDBM50311577
Wt: 324.3
BDBM50311578
Wt: 392.4
BDBM50311582
Wt: 324.3
BDBM50311584
Wt: 392.4
BDBM50311585
Purchase
Wt: 422.5
BDBM50311586
Wt: 256.2
BDBM50317431
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Wt: 354.3
BDBM50317430
Purchase
Wt: 324.3
BDBM50317436
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Wt: 408.4
BDBM50317437
Wt: 408.4
BDBM50317439
Wt: 436.5
BDBM50355210
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50311572,50311574,50311575,50311577,50311578,50311582,50311584,50311585,50311586,50317431,50317430,50317436,50317437,50317439,50355210   
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
Sialidase


(Clostridium perfringens)
BDBM50355210
PNG
(CHEMBL1835715)
Show SMILES COc1c(CC=C(C)C)c(O)cc2OC[C@@H]3[C@@H](Oc4c3cc(C)c(O)c4CC=C(C)C)c12
Show InChI InChI=1/C27H32O5/c1-14(2)7-9-17-21(28)12-22-23(26(17)30-6)27-20(13-31-22)19-11-16(5)24(29)18(25(19)32-27)10-8-15(3)4/h7-8,11-12,20,27-29H,9-10,13H2,1-6H3/t20-,27+/s2
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160n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate by Linewe...


Bioorg Med Chem Lett 21: 6100-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.046
BindingDB Entry DOI: 10.7270/Q2C53M8X
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317430
PNG
(CHEMBL454849 | Erythrabyssin I | cristacarpin | cr...)
Show SMILES COc1ccc2c(O[C@H]3c4ccc(O)cc4OC[C@@]23O)c1CC=C(C)C
Show InChI InChI=1/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3/t20-,21+/s2
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310n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50311586
PNG
(CHEMBL1088462 | erystagallin A)
Show SMILES COc1ccc2c(O[C@H]3c4cc(CC=C(C)C)c(O)cc4OC[C@@]23O)c1CC=C(C)C
Show InChI InChI=1/C26H30O5/c1-15(2)6-8-17-12-19-23(13-21(17)27)30-14-26(28)20-10-11-22(29-5)18(9-7-16(3)4)24(20)31-25(19)26/h6-7,10-13,25,27-28H,8-9,14H2,1-5H3/t25-,26+/s2
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1.80E+3n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317436
PNG
(CHEMBL1096407 | calopocarpin)
Show SMILES CC(C)=CCc1cc2[C@@H]3Oc4cc(O)ccc4[C@@H]3COc2cc1O
Show InChI InChI=1/C20H20O4/c1-11(2)3-4-12-7-15-18(9-17(12)22)23-10-16-14-6-5-13(21)8-19(14)24-20(15)16/h3,5-9,16,20-22H,4,10H2,1-2H3/t16-,20-/s2
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2.09E+3n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50311585
PNG
(CHEMBL455372 | Erythrabyssin II | erybraedin C)
Show SMILES CC(C)=CCc1cc2[C@@H]3Oc4c(ccc(O)c4CC=C(C)C)[C@@H]3COc2cc1O
Show InChI InChI=1/C25H28O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3/t20-,25-/s2
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2.73E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate by Linewe...


Bioorg Med Chem Lett 21: 6100-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.046
BindingDB Entry DOI: 10.7270/Q2C53M8X
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317431
PNG
(CHEMBL1098413 | demethylmedicarpin)
Show SMILES Oc1ccc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2c1
Show InChI InChI=1/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2/t12-,15-/s2
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3.83E+3n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317437
PNG
(CHEMBL1096408 | Erythribyssin L)
Show SMILES CC(C)=CCc1c2O[C@@H]3[C@@H](COc4cc5OC(C)(C)C(O)Cc5cc34)c2ccc1O
Show InChI InChI=1/C25H28O5/c1-13(2)5-6-16-19(26)8-7-15-18-12-28-21-11-20-14(10-22(27)25(3,4)30-20)9-17(21)24(18)29-23(15)16/h5,7-9,11,18,22,24,26-27H,6,10,12H2,1-4H3/t18-,22?,24-/s2
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4.13E+3n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317439
PNG
(CHEMBL1095422 | erysubin D)
Show SMILES CC(C)=CCc1cc2[C@@H]3Oc4c(ccc5OC(C)(C)C(O)Cc45)[C@@H]3COc2cc1O
Show InChI InChI=1/C25H28O5/c1-13(2)5-6-14-9-16-21(11-19(14)26)28-12-18-15-7-8-20-17(23(15)29-24(16)18)10-22(27)25(3,4)30-20/h5,7-9,11,18,22,24,26-27H,6,10,12H2,1-4H3/t18-,22?,24-/s2
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1.52E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50317431
PNG
(CHEMBL1098413 | demethylmedicarpin)
Show SMILES Oc1ccc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2c1
Show InChI InChI=1/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2/t12-,15-/s2
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n/an/a 2.95E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50317436
PNG
(CHEMBL1096407 | calopocarpin)
Show SMILES CC(C)=CCc1cc2[C@@H]3Oc4cc(O)ccc4[C@@H]3COc2cc1O
Show InChI InChI=1/C20H20O4/c1-11(2)3-4-12-7-15-18(9-17(12)22)23-10-16-14-6-5-13(21)8-19(14)24-20(15)16/h3,5-9,16,20-22H,4,10H2,1-2H3/t16-,20-/s2
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n/an/a 7.55E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50317437
PNG
(CHEMBL1096408 | Erythribyssin L)
Show SMILES CC(C)=CCc1c2O[C@@H]3[C@@H](COc4cc5OC(C)(C)C(O)Cc5cc34)c2ccc1O
Show InChI InChI=1/C25H28O5/c1-13(2)5-6-16-19(26)8-7-15-18-12-28-21-11-20-14(10-22(27)25(3,4)30-20)9-17(21)24(18)29-23(15)16/h5,7-9,11,18,22,24,26-27H,6,10,12H2,1-4H3/t18-,22?,24-/s2
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n/an/a 2.71E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50317439
PNG
(CHEMBL1095422 | erysubin D)
Show SMILES CC(C)=CCc1cc2[C@@H]3Oc4c(ccc5OC(C)(C)C(O)Cc45)[C@@H]3COc2cc1O
Show InChI InChI=1/C25H28O5/c1-13(2)5-6-14-9-16-21(11-19(14)26)28-12-18-15-7-8-20-17(23(15)29-24(16)18)10-22(27)25(3,4)30-20/h5,7-9,11,18,22,24,26-27H,6,10,12H2,1-4H3/t18-,22?,24-/s2
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n/an/a 2.64E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50355210
PNG
(CHEMBL1835715)
Show SMILES COc1c(CC=C(C)C)c(O)cc2OC[C@@H]3[C@@H](Oc4c3cc(C)c(O)c4CC=C(C)C)c12
Show InChI InChI=1/C27H32O5/c1-14(2)7-9-17-21(28)12-22-23(26(17)30-6)27-20(13-31-22)19-11-16(5)24(29)18(25(19)32-27)10-8-15(3)4/h7-8,11-12,20,27-29H,9-10,13H2,1-6H3/t20-,27+/s2
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n/an/a 320n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate by fluorometry


Bioorg Med Chem Lett 21: 6100-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.046
BindingDB Entry DOI: 10.7270/Q2C53M8X
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50311585
PNG
(CHEMBL455372 | Erythrabyssin II | erybraedin C)
Show SMILES CC(C)=CCc1cc2[C@@H]3Oc4c(ccc(O)c4CC=C(C)C)[C@@H]3COc2cc1O
Show InChI InChI=1/C25H28O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3/t20-,25-/s2
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n/an/a 3.35E+3n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate by fluorometry


Bioorg Med Chem Lett 21: 6100-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.046
BindingDB Entry DOI: 10.7270/Q2C53M8X
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311582
PNG
(CHEMBL1086765 | Erybreadin C)
Show SMILES CC(C)=CCc1cc2[C@@H]3COc4c(CC=C(C)C)c(O)ccc4[C@@H]3Oc2cc1O
Show InChI InChI=1/C25H28O4/c1-14(2)5-7-16-11-19-20-13-28-24-17(8-6-15(3)4)21(26)10-9-18(24)25(20)29-23(19)12-22(16)27/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3/t20-,25-/s2
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n/an/a 7.30E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311584
PNG
(CHEMBL1088321 | Sophorapterocarpan A)
Show SMILES CC(C)=CCc1cc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2cc1O
Show InChI InChI=1/C20H20O4/c1-11(2)3-4-12-7-15-16-10-23-18-8-13(21)5-6-14(18)20(16)24-19(15)9-17(12)22/h3,5-9,16,20-22H,4,10H2,1-2H3/t16-,20-/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311585
PNG
(CHEMBL455372 | Erythrabyssin II | erybraedin C)
Show SMILES CC(C)=CCc1cc2[C@@H]3Oc4c(ccc(O)c4CC=C(C)C)[C@@H]3COc2cc1O
Show InChI InChI=1/C25H28O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3/t20-,25-/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311586
PNG
(CHEMBL1088462 | erystagallin A)
Show SMILES COc1ccc2c(O[C@H]3c4cc(CC=C(C)C)c(O)cc4OC[C@@]23O)c1CC=C(C)C
Show InChI InChI=1/C26H30O5/c1-15(2)6-8-17-12-19-23(13-21(17)27)30-14-26(28)20-10-11-22(29-5)18(9-7-16(3)4)24(20)31-25(19)26/h6-7,10-13,25,27-28H,8-9,14H2,1-5H3/t25-,26+/s2
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n/an/a 2.08E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311572
PNG
(CHEMBL1076430 | Erythribyssin A)
Show SMILES COc1ccc2c(O[C@H]3c4ccc(O)cc4OC[C@@]23OC)c1CC=C(C)C
Show InChI InChI=1/C22H24O5/c1-13(2)5-7-15-18(24-3)10-9-17-20(15)27-21-16-8-6-14(23)11-19(16)26-12-22(17,21)25-4/h5-6,8-11,21,23H,7,12H2,1-4H3/t21-,22+/s2
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n/an/a 1.93E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311574
PNG
(CHEMBL1079407 | Erythribyssin C)
Show SMILES COc1cc2[C@@H]3COc4cc(OC)c(CC=C(C)C)cc4[C@@H]3Oc2cc1O
Show InChI InChI=1/C22H24O5/c1-12(2)5-6-13-7-15-19(10-18(13)24-3)26-11-16-14-8-21(25-4)17(23)9-20(14)27-22(15)16/h5,7-10,16,22-23H,6,11H2,1-4H3/t16-,22-/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311575
PNG
(CHEMBL1079408 | Eryvarin K)
Show SMILES COc1cc2[C@@H]3COc4cc(O)c(CC=C(C)C)cc4[C@@H]3Oc2cc1O
Show InChI InChI=1/C21H22O5/c1-11(2)4-5-12-6-14-18(8-16(12)22)25-10-15-13-7-20(24-3)17(23)9-19(13)26-21(14)15/h4,6-9,15,21-23H,5,10H2,1-3H3/t15-,21-/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311577
PNG
(CHEMBL561967 | Erybreadin B | erybraedin B)
Show SMILES CC(C)=CCc1c(O)ccc2[C@@H]3Oc4c(ccc5OC(C)(C)C=Cc45)[C@@H]3COc12
Show InChI InChI=1/C25H26O4/c1-14(2)5-6-16-20(26)9-7-18-22(16)27-13-19-15-8-10-21-17(23(15)28-24(18)19)11-12-25(3,4)29-21/h5,7-12,19,24,26H,6,13H2,1-4H3/t19-,24-/s2
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n/an/a 4.20E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50311586
PNG
(CHEMBL1088462 | erystagallin A)
Show SMILES COc1ccc2c(O[C@H]3c4cc(CC=C(C)C)c(O)cc4OC[C@@]23O)c1CC=C(C)C
Show InChI InChI=1/C26H30O5/c1-15(2)6-8-17-12-19-23(13-21(17)27)30-14-26(28)20-10-11-22(29-5)18(9-7-16(3)4)24(20)31-25(19)26/h6-7,10-13,25,27-28H,8-9,14H2,1-5H3/t25-,26+/s2
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n/an/a 2.04E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 10 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317430
PNG
(CHEMBL454849 | Erythrabyssin I | cristacarpin | cr...)
Show SMILES COc1ccc2c(O[C@H]3c4ccc(O)cc4OC[C@@]23O)c1CC=C(C)C
Show InChI InChI=1/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3/t20-,21+/s2
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n/an/a 2.28E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 10 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317439
PNG
(CHEMBL1095422 | erysubin D)
Show SMILES CC(C)=CCc1cc2[C@@H]3Oc4c(ccc5OC(C)(C)C(O)Cc45)[C@@H]3COc2cc1O
Show InChI InChI=1/C25H28O5/c1-13(2)5-6-14-9-16-21(11-19(14)26)28-12-18-15-7-8-20-17(23(15)29-24(16)18)10-22(27)25(3,4)30-20/h5,7-9,11,18,22,24,26-27H,6,10,12H2,1-4H3/t18-,22?,24-/s2
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n/an/a 2.64E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 10 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317437
PNG
(CHEMBL1096408 | Erythribyssin L)
Show SMILES CC(C)=CCc1c2O[C@@H]3[C@@H](COc4cc5OC(C)(C)C(O)Cc5cc34)c2ccc1O
Show InChI InChI=1/C25H28O5/c1-13(2)5-6-16-19(26)8-7-15-18-12-28-21-11-20-14(10-22(27)25(3,4)30-20)9-17(21)24(18)29-23(15)16/h5,7-9,11,18,22,24,26-27H,6,10,12H2,1-4H3/t18-,22?,24-/s2
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n/an/a 2.79E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 10 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317436
PNG
(CHEMBL1096407 | calopocarpin)
Show SMILES CC(C)=CCc1cc2[C@@H]3Oc4cc(O)ccc4[C@@H]3COc2cc1O
Show InChI InChI=1/C20H20O4/c1-11(2)3-4-12-7-15-18(9-17(12)22)23-10-16-14-6-5-13(21)8-19(14)24-20(15)16/h3,5-9,16,20-22H,4,10H2,1-2H3/t16-,20-/s2
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n/an/a 1.57E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 10 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317431
PNG
(CHEMBL1098413 | demethylmedicarpin)
Show SMILES Oc1ccc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2c1
Show InChI InChI=1/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2/t12-,15-/s2
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n/an/a 6.39E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 10 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50311578
PNG
(3,9-Dihydroxy-4-prenyl-[6aR;11aR]pterocarpan | CHE...)
Show SMILES CC(C)=CCc1c(O)ccc2[C@@H]3Oc4cc(O)ccc4[C@@H]3COc12
Show InChI InChI=1/C20H20O4/c1-11(2)3-5-14-17(22)8-7-15-19(14)23-10-16-13-6-4-12(21)9-18(13)24-20(15)16/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/s2
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n/an/a 1.95E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitrophenol production


Bioorg Med Chem Lett 19: 6745-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.108
BindingDB Entry DOI: 10.7270/Q24B328V
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50317430
PNG
(CHEMBL454849 | Erythrabyssin I | cristacarpin | cr...)
Show SMILES COc1ccc2c(O[C@H]3c4ccc(O)cc4OC[C@@]23O)c1CC=C(C)C
Show InChI InChI=1/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3/t20-,21+/s2
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n/an/a 2.20E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50311586
PNG
(CHEMBL1088462 | erystagallin A)
Show SMILES COc1ccc2c(O[C@H]3c4cc(CC=C(C)C)c(O)cc4OC[C@@]23O)c1CC=C(C)C
Show InChI InChI=1/C26H30O5/c1-15(2)6-8-17-12-19-23(13-21(17)27)30-14-26(28)20-10-11-22(29-5)18(9-7-16(3)4)24(20)31-25(19)26/h6-7,10-13,25,27-28H,8-9,14H2,1-5H3/t25-,26+/s2
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n/an/a 2.77E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair