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25 similar compounds to monomer 50310830

Compile data set for download or QSAR
Wt: 360.3
BDBM50059986
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Wt: 360.3
BDBM50133496
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Wt: 374.3
BDBM50210054
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Wt: 344.3
BDBM50310831
Wt: 494.4
BDBM50414250
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Wt: 430.8
BDBM50429237
Wt: 464.4
BDBM50429238
Wt: 398.4
BDBM50429245
Wt: 406.4
BDBM50429246
Wt: 416.4
BDBM50429247
Wt: 388.3
BDBM50429248
Wt: 386.3
BDBM50429249
Wt: 462.4
BDBM50429250
Wt: 432.4
BDBM50429251
Wt: 374.3
BDBM50429253
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 54 hits for monomerid = 50059986,50133496,50210054,50310831,50414250,50429237,50429238,50429245,50429246,50429247,50429248,50429249,50429250,50429251,50429253   
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
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50414250
PNG
(CHEMBL457077)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1
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PubMed
40 -10.1n/an/an/an/an/an/a25



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration ass...


Bioorg Med Chem 23: 7219-25 (2015)


Article DOI: 10.1016/j.bmc.2015.10.018
BindingDB Entry DOI: 10.7270/Q2862J84
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50414250
PNG
(CHEMBL457077)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1
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67 -9.78n/an/an/an/an/an/a25



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Bioorg Med Chem 23: 7219-25 (2015)


Article DOI: 10.1016/j.bmc.2015.10.018
BindingDB Entry DOI: 10.7270/Q2862J84
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50414250
PNG
(CHEMBL457077)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1
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71 -9.75n/an/an/an/an/an/a25



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Bioorg Med Chem 23: 7219-25 (2015)


Article DOI: 10.1016/j.bmc.2015.10.018
BindingDB Entry DOI: 10.7270/Q2862J84
More data for this
Ligand-Target Pair
SRC


(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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7.50E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells at 10 umol/L by ELISA


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50414250
PNG
(CHEMBL457077)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1
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9.59E+3 -6.84n/an/an/an/an/an/a25



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Bioorg Med Chem 23: 7219-25 (2015)


Article DOI: 10.1016/j.bmc.2015.10.018
BindingDB Entry DOI: 10.7270/Q2862J84
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50414250
PNG
(CHEMBL457077)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1
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>1.00E+4>-6.82n/an/an/an/an/an/a25



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Bioorg Med Chem 23: 7219-25 (2015)


Article DOI: 10.1016/j.bmc.2015.10.018
BindingDB Entry DOI: 10.7270/Q2862J84
More data for this
Ligand-Target Pair
SRC


(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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1.02E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells at 30 umol/L by ELISA


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
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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n/an/a 4.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase


J Med Chem 40: 3057-63 (1997)


Article DOI: 10.1021/jm970190x
BindingDB Entry DOI: 10.7270/Q22Z166F
More data for this
Ligand-Target Pair
Transthyretin


(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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n/an/an/an/a 8.60E+3n/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay


J Med Chem 57: 8928-35 (2014)


Article DOI: 10.1021/jm500997m
BindingDB Entry DOI: 10.7270/Q2KD20HH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(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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n/an/a 2.40E+4n/an/an/an/an/an/a



Mogam Biotechnology Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding to p56 Lck tyrosine kinase SH2 domain


Bioorg Med Chem Lett 13: 3455-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00735-2
BindingDB Entry DOI: 10.7270/Q2K64HGZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-2 (MMP-2)


(Rattus norvegicus (Rat))
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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n/an/a 2.72E+4n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of gelatinolytic activity of MMP2 in rat lung homogenate after 40 mins by SDS-PAGE preincubated for 30 mins


J Nat Prod 72: 1379-84 (2009)


Article DOI: 10.1021/np800781t
BindingDB Entry DOI: 10.7270/Q2891602
More data for this
Ligand-Target Pair
Matrix metalloproteinase-2 (MMP-2)


(Rattus norvegicus (Rat))
BDBM50310831
PNG
(CHEMBL1079231 | Clinopodic acid A)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C18H16O7/c19-13-5-1-11(2-6-13)4-8-17(22)25-16(18(23)24)10-12-3-7-14(20)15(21)9-12/h1-9,16,19-21H,10H2,(H,23,24)/b8-4+/t16-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of gelatinolytic activity of MMP2 in rat lung homogenate after 40 mins by SDS-PAGE preincubated for 30 mins


J Nat Prod 72: 1379-84 (2009)


Article DOI: 10.1021/np800781t
BindingDB Entry DOI: 10.7270/Q2891602
More data for this
Ligand-Target Pair
Matrix metalloproteinase-2 (MMP-2)


(Rattus norvegicus (Rat))
BDBM50210054
PNG
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of gelatinolytic activity of MMP2 in rat lung homogenate after 40 mins by SDS-PAGE preincubated for 30 mins


J Nat Prod 72: 1379-84 (2009)


Article DOI: 10.1021/np800781t
BindingDB Entry DOI: 10.7270/Q2891602
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(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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n/an/a 3.91E+3n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase


Eur J Med Chem 45: 1663-6 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.007
BindingDB Entry DOI: 10.7270/Q2N58MJW
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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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
Tyrosinase


(Agaricus bisporus (Common mushroom))
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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n/an/a 2.50E+5n/an/an/an/an/an/a



University of Tokushima

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 20: 7393-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.040
BindingDB Entry DOI: 10.7270/Q26110KT
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
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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n/an/a 9.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 3'- processing activity of HIV-1 integrase


J Med Chem 40: 3057-63 (1997)


Article DOI: 10.1021/jm970190x
BindingDB Entry DOI: 10.7270/Q22Z166F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
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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n/an/a 9.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing


J Med Chem 43: 2100-14 (2000)


Article DOI: 10.1021/jm990322h
BindingDB Entry DOI: 10.7270/Q27D2VTS
More data for this
Ligand-Target Pair
SRC


(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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n/an/a 1.30E+3n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 20 mins by ELISA in presence of 1 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
SRC


(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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n/an/a 3.60E+4n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 1 min by ELISA in presence of 1 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
SRC


(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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n/an/a 3.60E+3n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 20 mins by ELISA in presence of 10 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
SRC


(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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n/an/a 6.30E+4n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 1 min by ELISA in presence of 100 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
SRC


(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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n/an/a 7.40E+4n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 1 min by ELISA in presence of 10 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
SRC


(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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n/an/a 1.70E+4n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 20 mins by ELISA in presence of 100 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
Transcription factor AP-1


(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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n/an/a 1.62E+4n/an/an/an/an/an/a



National Defense Medical Center, Taiwan

Curated by ChEMBL


Assay Description
Inhibition of transcription factor AP-1 binding to oligonucleotide containing TPA-responsive element in TPA-activated human HeLa cells after 1 hr by ...


Bioorg Med Chem 22: 1766-72 (2014)


Article DOI: 10.1016/j.bmc.2014.01.009
BindingDB Entry DOI: 10.7270/Q2ZP47K7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50429237
PNG
(CHEMBL2333283)
Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(Cl)cc2)C(=O)OCC=C)cc1OC
Show InChI InChI=1S/C23H23ClO6/c1-4-13-29-23(26)21(15-17-7-11-19(27-2)20(14-17)28-3)30-22(25)12-8-16-5-9-18(24)10-6-16/h4-12,14,21H,1,13,15H2,2-3H3/b12-8+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50429238
PNG
(CHEMBL2333282)
Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(cc2)C(F)(F)F)C(=O)OCC=C)cc1OC
Show InChI InChI=1S/C24H23F3O6/c1-4-13-32-23(29)21(15-17-7-11-19(30-2)20(14-17)31-3)33-22(28)12-8-16-5-9-18(10-6-16)24(25,26)27/h4-12,14,21H,1,13,15H2,2-3H3/b12-8+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50429245
PNG
(CHEMBL2333275)
Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc3CCOc3c2)C(O)=O)cc1OC
Show InChI InChI=1S/C22H22O7/c1-26-17-7-4-15(12-19(17)27-2)13-20(22(24)25)29-21(23)8-5-14-3-6-16-9-10-28-18(16)11-14/h3-8,11-12,20H,9-10,13H2,1-2H3,(H,24,25)/b8-5+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50429246
PNG
(CHEMBL2333274)
Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc3ccccc3c2)C(O)=O)cc1OC
Show InChI InChI=1S/C24H22O6/c1-28-20-11-8-17(14-21(20)29-2)15-22(24(26)27)30-23(25)12-9-16-7-10-18-5-3-4-6-19(18)13-16/h3-14,22H,15H2,1-2H3,(H,26,27)/b12-9+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50429247
PNG
(CHEMBL2333272)
Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(OC)c(OC)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C22H24O8/c1-26-16-8-5-14(11-18(16)28-3)7-10-21(23)30-20(22(24)25)13-15-6-9-17(27-2)19(12-15)29-4/h5-12,20H,13H2,1-4H3,(H,24,25)/b10-7+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50429248
PNG
(CHEMBL2333271)
Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(O)c(O)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C20H20O8/c1-26-16-7-4-13(10-17(16)27-2)11-18(20(24)25)28-19(23)8-5-12-3-6-14(21)15(22)9-12/h3-10,18,21-22H,11H2,1-2H3,(H,24,25)/b8-5+
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n/an/a 1.37E+4n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50429249
PNG
(CHEMBL2333270)
Show SMILES COc1ccc(\C=C\C(=O)OC(Cc2ccc(OC)c(OC)c2)C(O)=O)cc1
Show InChI InChI=1S/C21H22O7/c1-25-16-8-4-14(5-9-16)7-11-20(22)28-19(21(23)24)13-15-6-10-17(26-2)18(12-15)27-3/h4-12,19H,13H2,1-3H3,(H,23,24)/b11-7+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50429250
PNG
(CHEMBL2333269)
Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(OCc3ccccc3)cc2)C(O)=O)cc1OC
Show InChI InChI=1S/C27H26O7/c1-31-23-14-10-21(16-24(23)32-2)17-25(27(29)30)34-26(28)15-11-19-8-12-22(13-9-19)33-18-20-6-4-3-5-7-20/h3-16,25H,17-18H2,1-2H3,(H,29,30)/b15-11+
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n/an/a 8.90E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50429251
PNG
(CHEMBL2333268)
Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccc(cc2)-c2ccccc2)C(O)=O)cc1OC
Show InChI InChI=1S/C26H24O6/c1-30-22-14-10-19(16-23(22)31-2)17-24(26(28)29)32-25(27)15-11-18-8-12-21(13-9-18)20-6-4-3-5-7-20/h3-16,24H,17H2,1-2H3,(H,28,29)/b15-11+
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n/an/a 8.60E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50429253
PNG
(CHEMBL2333266)
Show SMILES COc1ccc(CC(OC(=O)\C=C\c2ccccc2F)C(O)=O)cc1OC
Show InChI InChI=1S/C20H19FO6/c1-25-16-9-7-13(11-17(16)26-2)12-18(20(23)24)27-19(22)10-8-14-5-3-4-6-15(14)21/h3-11,18H,12H2,1-2H3,(H,23,24)/b10-8+
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n/an/a 3.47E+4n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(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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n/an/a 5.60E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50210054
PNG
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
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PubMed
n/an/a 1.47E+4n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(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 2.60E+4n/an/an/an/an/an/a



Max Planck Institute of Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of c-SRC SH2 domain


Bioorg Med Chem Lett 19: 3305-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.083
BindingDB Entry DOI: 10.7270/Q29P32WX
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50414250
PNG
(CHEMBL457077)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1
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PubMed
n/an/a 3.62E+4n/an/an/an/an/an/a



Max Planck Institute of Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of c-SRC SH2 domain


Bioorg Med Chem Lett 19: 3305-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.083
BindingDB Entry DOI: 10.7270/Q29P32WX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(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 5.50E+4n/an/an/an/an/an/a



Max Planck Institute of Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of LCK SH2 domain


Bioorg Med Chem Lett 19: 3305-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.083
BindingDB Entry DOI: 10.7270/Q29P32WX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50414250
PNG
(CHEMBL457077)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1
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n/an/a 2.35E+4n/an/an/an/an/an/a



Max Planck Institute of Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of LCK SH2 domain


Bioorg Med Chem Lett 19: 3305-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.083
BindingDB Entry DOI: 10.7270/Q29P32WX
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50210054
PNG
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
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PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50210054
PNG
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
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n/an/a 1.47E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50210054
PNG
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
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PubMed
n/an/a 3.58E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50210054
PNG
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
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PubMed
n/an/a 2.83E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50210054
PNG
((R,E)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropa...)
Show SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1
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n/an/a 610n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50059986
PNG
(3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyph...)
Show SMILES OC(=O)C(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+
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n/an/a 1.22E+6n/an/an/an/a8.0n/a



Instituto Superior Técnico



Assay Description
AChE enzymatic activity was measured using an adaptation of the method previously described [Ingkaninan et al., J. Ethnopharmacol., 89:261-264]; 98 &...


J Enzyme Inhib Med Chem 26: 485-97 (2011)


Article DOI: 10.3109/14756366.2010.529806
BindingDB Entry DOI: 10.7270/Q2862FBS
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM50059986
PNG
(3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyph...)
Show SMILES OC(=O)C(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+
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n/an/a 274n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM50059986
PNG
(3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyph...)
Show SMILES OC(=O)C(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+
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n/an/a 6.85E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max (Soybean) (Glycine hispida))
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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n/an/a 1.15E+6n/an/an/an/an/a25



University of Athens



Assay Description
soybean lipoxygenase and linoleic acid sodium salt were obtained from Sigma Chemical, Co. in St. Louis, MO. Each experiment of the in vitro assay wa...


J Enzyme Inhib Med Chem 22: 99-104 (2007)


Article DOI: 10.1080/14756360600991017
BindingDB Entry DOI: 10.7270/Q22N50VW
More data for this
Ligand-Target Pair
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