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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with Target = 'Hyaluronidase'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hyaluronidase


(Homo sapiens (Human))
BDBM81867
PNG
(N-Substituted indole-2- and 3-carboxamide derivati...)
Show SMILES Fc1ccc(Cn2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H18ClFN2O/c24-18-9-5-16(6-10-18)13-26-23(28)21-15-27(22-4-2-1-3-20(21)22)14-17-7-11-19(25)12-8-17/h1-12,15H,13-14H2,(H,26,28)
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n/an/a 7.29E+4n/an/an/an/a3.537



TBA



Assay Description
Morgan-elson assay were used to test inhibitors at pH of 3.5.


Chem Biol Drug Des 70: 547-51 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00590.x
BindingDB Entry DOI: 10.7270/Q2FB51F7
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM81866
PNG
(N-Substituted indole-2- and 3-carboxamide derivati...)
Show SMILES Fc1ccc(Cn2cc(C(=O)NCc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H19FN2O/c24-19-12-10-18(11-13-19)15-26-16-21(20-8-4-5-9-22(20)26)23(27)25-14-17-6-2-1-3-7-17/h1-13,16H,14-15H2,(H,25,27)
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n/an/a 6.16E+4n/an/an/an/a3.537



TBA



Assay Description
Morgan-elson assay were used to test inhibitors at pH of 3.5.


Chem Biol Drug Des 70: 547-51 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00590.x
BindingDB Entry DOI: 10.7270/Q2FB51F7
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM81861
PNG
(N-Substituted indole-2- and 3-carboxamide derivati...)
Show SMILES Clc1ccc(CNC(=O)c2cc3ccccc3n2Cc2ccccc2)cc1
Show InChI InChI=1S/C23H19ClN2O/c24-20-12-10-17(11-13-20)15-25-23(27)22-14-19-8-4-5-9-21(19)26(22)16-18-6-2-1-3-7-18/h1-14H,15-16H2,(H,25,27)
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n/an/a 6.43E+4n/an/an/an/a3.537



TBA



Assay Description
Morgan-elson assay were used to test inhibitors at pH of 3.5.


Chem Biol Drug Des 70: 547-51 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00590.x
BindingDB Entry DOI: 10.7270/Q2FB51F7
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM81860
PNG
(N-Substituted indole-2- and 3-carboxamide derivati...)
Show SMILES O=C(NCc1ccccc1)c1cc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C23H20N2O/c26-23(24-16-18-9-3-1-4-10-18)22-15-20-13-7-8-14-21(20)25(22)17-19-11-5-2-6-12-19/h1-15H,16-17H2,(H,24,26)
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n/an/a 7.82E+4n/an/an/an/a3.537



TBA



Assay Description
Morgan-elson assay were used to test inhibitors at pH of 3.5.


Chem Biol Drug Des 70: 547-51 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00590.x
BindingDB Entry DOI: 10.7270/Q2FB51F7
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM81868
PNG
(N-Substituted indole-2- and 3-carboxamide derivati...)
Show SMILES Fc1ccc(CNC(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H18F2N2O/c24-18-9-5-16(6-10-18)13-26-23(28)21-15-27(22-4-2-1-3-20(21)22)14-17-7-11-19(25)12-8-17/h1-12,15H,13-14H2,(H,26,28)
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n/an/a 5.67E+4n/an/an/an/a3.537



TBA



Assay Description
Morgan-elson assay were used to test inhibitors at pH of 3.5.


Chem Biol Drug Des 70: 547-51 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00590.x
BindingDB Entry DOI: 10.7270/Q2FB51F7
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM81866
PNG
(N-Substituted indole-2- and 3-carboxamide derivati...)
Show SMILES Fc1ccc(Cn2cc(C(=O)NCc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H19FN2O/c24-19-12-10-18(11-13-19)15-26-16-21(20-8-4-5-9-22(20)26)23(27)25-14-17-6-2-1-3-7-17/h1-13,16H,14-15H2,(H,25,27)
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n/an/a 3.30E+4n/an/an/an/a7.037



TBA



Assay Description
Stains-all assay were used to test inhibitors at pH of 7.


Chem Biol Drug Des 70: 547-51 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00590.x
BindingDB Entry DOI: 10.7270/Q2FB51F7
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM81867
PNG
(N-Substituted indole-2- and 3-carboxamide derivati...)
Show SMILES Fc1ccc(Cn2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H18ClFN2O/c24-18-9-5-16(6-10-18)13-26-23(28)21-15-27(22-4-2-1-3-20(21)22)14-17-7-11-19(25)12-8-17/h1-12,15H,13-14H2,(H,26,28)
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n/an/a 3.37E+4n/an/an/an/a7.037



TBA



Assay Description
Stains-all assay were used to test inhibitors at pH of 7.


Chem Biol Drug Des 70: 547-51 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00590.x
BindingDB Entry DOI: 10.7270/Q2FB51F7
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM81868
PNG
(N-Substituted indole-2- and 3-carboxamide derivati...)
Show SMILES Fc1ccc(CNC(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H18F2N2O/c24-18-9-5-16(6-10-18)13-26-23(28)21-15-27(22-4-2-1-3-20(21)22)14-17-7-11-19(25)12-8-17/h1-12,15H,13-14H2,(H,26,28)
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n/an/a 2.57E+4n/an/an/an/a7.037



TBA



Assay Description
Stains-all assay were used to test inhibitors at pH of 7.


Chem Biol Drug Des 70: 547-51 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00590.x
BindingDB Entry DOI: 10.7270/Q2FB51F7
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM81865
PNG
(N-Substituted indole-2- and 3-carboxamide derivati...)
Show SMILES Fc1ccc(CNC(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H18F2N2O/c24-19-9-5-16(6-10-19)14-26-23(28)22-13-18-3-1-2-4-21(18)27(22)15-17-7-11-20(25)12-8-17/h1-13H,14-15H2,(H,26,28)
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n/an/a 2.99E+4n/an/an/an/a7.037



TBA



Assay Description
Stains-all assay were used to test inhibitors at pH of 7.


Chem Biol Drug Des 70: 547-51 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00590.x
BindingDB Entry DOI: 10.7270/Q2FB51F7
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM81864
PNG
(N-Substituted indole-2- and 3-carboxamide derivati...)
Show SMILES Fc1ccc(Cn2c(cc3ccccc23)C(=O)NCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H18ClFN2O/c24-19-9-5-16(6-10-19)14-26-23(28)22-13-18-3-1-2-4-21(18)27(22)15-17-7-11-20(25)12-8-17/h1-13H,14-15H2,(H,26,28)
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n/an/a 3.30E+4n/an/an/an/a7.037



TBA



Assay Description
Stains-all assay were used to test inhibitors at pH of 7.


Chem Biol Drug Des 70: 547-51 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00590.x
BindingDB Entry DOI: 10.7270/Q2FB51F7
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM81863
PNG
(N-Substituted indole-2- and 3-carboxamide derivati...)
Show SMILES Fc1ccc(Cn2c(cc3ccccc23)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C23H19FN2O/c24-20-12-10-18(11-13-20)16-26-21-9-5-4-8-19(21)14-22(26)23(27)25-15-17-6-2-1-3-7-17/h1-14H,15-16H2,(H,25,27)
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n/an/a 4.11E+4n/an/an/an/a7.037



TBA



Assay Description
Stains-all assay were used to test inhibitors at pH of 7.


Chem Biol Drug Des 70: 547-51 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00590.x
BindingDB Entry DOI: 10.7270/Q2FB51F7
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM81862
PNG
(N-Substituted indole-2- and 3-carboxamide derivati...)
Show SMILES Fc1ccc(CNC(=O)c2cc3ccccc3n2Cc2ccccc2)cc1
Show InChI InChI=1S/C23H19FN2O/c24-20-12-10-17(11-13-20)15-25-23(27)22-14-19-8-4-5-9-21(19)26(22)16-18-6-2-1-3-7-18/h1-14H,15-16H2,(H,25,27)
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n/an/a 2.72E+4n/an/an/an/a7.037



TBA



Assay Description
Stains-all assay were used to test inhibitors at pH of 7.


Chem Biol Drug Des 70: 547-51 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00590.x
BindingDB Entry DOI: 10.7270/Q2FB51F7
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM81860
PNG
(N-Substituted indole-2- and 3-carboxamide derivati...)
Show SMILES O=C(NCc1ccccc1)c1cc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C23H20N2O/c26-23(24-16-18-9-3-1-4-10-18)22-15-20-13-7-8-14-21(20)25(22)17-19-11-5-2-6-12-19/h1-15H,16-17H2,(H,24,26)
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n/an/a 4.03E+4n/an/an/an/a7.037



TBA



Assay Description
Stains-all assay were used to test inhibitors at pH of 7.


Chem Biol Drug Des 70: 547-51 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00590.x
BindingDB Entry DOI: 10.7270/Q2FB51F7
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM81861
PNG
(N-Substituted indole-2- and 3-carboxamide derivati...)
Show SMILES Clc1ccc(CNC(=O)c2cc3ccccc3n2Cc2ccccc2)cc1
Show InChI InChI=1S/C23H19ClN2O/c24-20-12-10-17(11-13-20)15-25-23(27)22-14-19-8-4-5-9-21(19)26(22)16-18-6-2-1-3-7-18/h1-14H,15-16H2,(H,25,27)
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n/an/a 3.32E+4n/an/an/an/a7.037



TBA



Assay Description
Stains-all assay were used to test inhibitors at pH of 7.


Chem Biol Drug Des 70: 547-51 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00590.x
BindingDB Entry DOI: 10.7270/Q2FB51F7
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM50316414
PNG
(CHEMBL1096631 | Cimicifugic acid K)
Show SMILES OC(=O)[C@@H](OC(=O)\C=C\c1ccc(O)cc1)[C@](O)(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C20H18O9/c21-14-6-1-12(2-7-14)5-10-16(23)29-17(18(24)25)20(28,19(26)27)11-13-3-8-15(22)9-4-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/b10-5+/t17-,20-/m1/s1
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n/an/a 2.55E+5n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of hyaluronidase


J Nat Prod 73: 609-12 (2010)


Article DOI: 10.1021/np900752t
BindingDB Entry DOI: 10.7270/Q2GF0TNW
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM50316415
PNG
(CHEMBL1097937 | Cimicifugic acid L | cimicifugic a...)
Show SMILES COc1ccc(\C=C\C(=O)O[C@H](C(O)=O)[C@](O)(Cc2ccc(O)cc2)C(O)=O)cc1OC
Show InChI InChI=1S/C22H22O10/c1-30-16-9-5-13(11-17(16)31-2)6-10-18(24)32-19(20(25)26)22(29,21(27)28)12-14-3-7-15(23)8-4-14/h3-11,19,23,29H,12H2,1-2H3,(H,25,26)(H,27,28)/b10-6+/t19-,22-/m1/s1
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n/an/a 1.02E+5n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of hyaluronidase


J Nat Prod 73: 609-12 (2010)


Article DOI: 10.1021/np900752t
BindingDB Entry DOI: 10.7270/Q2GF0TNW
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM50316416
PNG
(CHEMBL1096937 | Cimicifugic acid M)
Show SMILES OC(=O)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@](O)(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H18O9/c21-14-8-6-12(10-15(14)22)7-9-16(23)29-17(18(24)25)20(28,19(26)27)11-13-4-2-1-3-5-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/b9-7+/t17-,20-/m1/s1
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n/an/a 1.73E+5n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of hyaluronidase


J Nat Prod 73: 609-12 (2010)


Article DOI: 10.1021/np900752t
BindingDB Entry DOI: 10.7270/Q2GF0TNW
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM50316417
PNG
(CHEMBL1094303 | Cimicifugic acid N)
Show SMILES COc1ccc(\C=C/C(=O)O[C@H](C(O)=O)[C@](O)(Cc2ccc(O)c(O)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C22H22O11/c1-31-16-7-4-12(10-17(16)32-2)5-8-18(25)33-19(20(26)27)22(30,21(28)29)11-13-3-6-14(23)15(24)9-13/h3-10,19,23-24,30H,11H2,1-2H3,(H,26,27)(H,28,29)/b8-5-/t19-,22-/m1/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of hyaluronidase


J Nat Prod 73: 609-12 (2010)


Article DOI: 10.1021/np900752t
BindingDB Entry DOI: 10.7270/Q2GF0TNW
More data for this
Ligand-Target Pair
Hyaluronate lyase


(Streptococcus pneumoniae)
BDBM50351096
PNG
(ASCORBIC ACID)
Show SMILES OC[C@H](O)[C@H]1OC(=O)C(=O)C1O
Show InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5,7-9H,1H2/t2-,3?,5+/m0/s1
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n/an/a 6.00E+6n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae hyaluronidase after 1 hr by microplate reader assay


Eur J Med Chem 46: 4419-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.014
BindingDB Entry DOI: 10.7270/Q24Q7VBK
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM50214744
PNG
((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Show SMILES COc1cc(\C=C\C(O)=O)ccc1O
Show InChI InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
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n/an/a>2.00E+6n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of hyaluronidase


J Nat Prod 73: 609-12 (2010)


Article DOI: 10.1021/np900752t
BindingDB Entry DOI: 10.7270/Q2GF0TNW
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM50241245
PNG
((2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic aci...)
Show SMILES COc1ccc(\C=C\C(O)=O)cc1O
Show InChI InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
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Article
PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of hyaluronidase


J Nat Prod 73: 609-12 (2010)


Article DOI: 10.1021/np900752t
BindingDB Entry DOI: 10.7270/Q2GF0TNW
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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PubMed
n/an/a 5.45E+5n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of hyaluronidase


J Nat Prod 73: 609-12 (2010)


Article DOI: 10.1021/np900752t
BindingDB Entry DOI: 10.7270/Q2GF0TNW
More data for this
Ligand-Target Pair
Hyaluronidase


(Homo sapiens (Human))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
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Article
PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of hyaluronidase


J Nat Prod 73: 609-12 (2010)


Article DOI: 10.1021/np900752t
BindingDB Entry DOI: 10.7270/Q2GF0TNW
More data for this
Ligand-Target Pair