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50 similar compounds to monomer 50070942

Wt: 458.3
BDBM84980
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Wt: 610.4
BDBM92480
Wt: 498.4
BDBM50088353
Wt: 458.3
BDBM50093882
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Wt: 302.2
BDBM50105584
Wt: 442.3
BDBM50105591
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Wt: 334.2
BDBM50109688
Wt: 362.3
BDBM50109689
Wt: 318.2
BDBM50109691
Wt: 318.2
BDBM50109693
Wt: 302.2
BDBM50109694
Wt: 318.2
BDBM50109696
Wt: 318.2
BDBM50109697
Wt: 500.6
BDBM50131446
Wt: 556.7
BDBM50131449
Displayed 1 to 15 (of 50 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 84980,92480,50088353,50093882,50105584,50105591,50109688,50109689,50109691,50109693,50109694,50109696,50109697,50131446,50131449   
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50093882
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-2-(3,4...)
Show SMILES Oc1cc(O)c2CC(OC(=O)c3cc(O)c(O)c(O)c3)C(Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2
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PubMed
n/an/a 6.03E+3n/an/an/an/an/an/a



TCG Lifesciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Eur J Med Chem 46: 618-30 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.042
BindingDB Entry DOI: 10.7270/Q2WQ052W
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50088353
PNG
(5-(3,4-Dihydroxy-phenyl)-3-hydroxy-pentanoic acid ...)
Show SMILES OC(CCc1ccc(O)c(O)c1)CC(=O)O[C@H]1Cc2cc(O)c(O)cc2O[C@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H26O10/c27-16(4-1-13-2-5-17(28)19(30)7-13)11-25(34)35-24-10-15-9-21(32)22(33)12-23(15)36-26(24)14-3-6-18(29)20(31)8-14/h2-3,5-9,12,16,24,26-33H,1,4,10-11H2/t16?,24-,26-/m0/s1
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n/an/a 1.40E+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
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM84980
PNG
((-) EPIGALLOCATECHIN GALLATE)
Show SMILES Oc1cc(O)c2CC(OC(=O)c3ccc(O)c(O)c3O)C(Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-9-5-13(25)11-7-17(33-22(31)10-1-2-12(24)20(30)18(10)28)21(32-16(11)6-9)8-3-14(26)19(29)15(27)4-8/h1-6,17,21,23-30H,7H2
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n/an/a 2.35E+3n/an/an/an/an/a37



Eberhard Karls University of Tuebingen



Assay Description
The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C. For the JNK3 assay, kinase (10n...


Chembiochem 11: 2579-88 (2010)


Article DOI: 10.1002/cbic.201000487
BindingDB Entry DOI: 10.7270/Q21C1VDT
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM92480
PNG
(Epigallocatechin-3,5-Digallate, C)
Show SMILES Oc1cc(OC(=O)c2cc(O)c(O)c(O)c2)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C29H22O15/c30-13-7-21-14(22(8-13)43-28(40)11-3-17(33)25(38)18(34)4-11)9-23(27(42-21)10-1-15(31)24(37)16(32)2-10)44-29(41)12-5-19(35)26(39)20(36)6-12/h1-8,23,27,30-39H,9H2/t23-,27-/m1/s1
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n/an/a 330n/an/an/an/a7.823



University of Michigan



Assay Description
Enzyme activity assay using human and murine PAI-1.


J Biol Chem 285: 7892-902 (2010)


Article DOI: 10.1074/jbc.M109.067967
BindingDB Entry DOI: 10.7270/Q2ZC81FC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109694
PNG
(3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1
Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109694
PNG
(3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1
Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109694
PNG
(3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1
Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109696
PNG
(3,4,5-Trihydroxy-benzoic acid 7-hydroxy-chroman-3-...)
Show SMILES Oc1ccc2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-10-2-1-8-3-11(7-22-14(8)6-10)23-16(21)9-4-12(18)15(20)13(19)5-9/h1-2,4-6,11,17-20H,3,7H2
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n/an/a 7.60E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109688
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109688
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109689
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dimethoxy-chroma...)
Show SMILES COc1cc(OC)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C18H18O8/c1-23-10-6-15(24-2)12-5-11(8-25-16(12)7-10)26-18(22)9-3-13(19)17(21)14(20)4-9/h3-4,6-7,11,19-21H,5,8H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109694
PNG
(3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1
Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109689
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dimethoxy-chroma...)
Show SMILES COc1cc(OC)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C18H18O8/c1-23-10-6-15(24-2)12-5-11(8-25-16(12)7-10)26-18(22)9-3-13(19)17(21)14(20)4-9/h3-4,6-7,11,19-21H,5,8H2,1-2H3
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n/an/a 7.28E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109689
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dimethoxy-chroma...)
Show SMILES COc1cc(OC)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C18H18O8/c1-23-10-6-15(24-2)12-5-11(8-25-16(12)7-10)26-18(22)9-3-13(19)17(21)14(20)4-9/h3-4,6-7,11,19-21H,5,8H2,1-2H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109696
PNG
(3,4,5-Trihydroxy-benzoic acid 7-hydroxy-chroman-3-...)
Show SMILES Oc1ccc2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-10-2-1-8-3-11(7-22-14(8)6-10)23-16(21)9-4-12(18)15(20)13(19)5-9/h1-2,4-6,11,17-20H,3,7H2
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n/an/a 3.63E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109693
PNG
(3,4-Dihydroxy-benzoic acid 5,7-dihydroxy-chroman-3...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-9-4-13(19)11-6-10(7-22-15(11)5-9)23-16(21)8-1-2-12(18)14(20)3-8/h1-5,10,17-20H,6-7H2
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n/an/a 3.72E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109697
PNG
(3,4,5-Trihydroxy-benzoic acid 5-hydroxy-chroman-3-...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2cccc(O)c2C1
Show InChI InChI=1S/C16H14O7/c17-11-2-1-3-14-10(11)6-9(7-22-14)23-16(21)8-4-12(18)15(20)13(19)5-8/h1-5,9,17-20H,6-7H2
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n/an/a 4.55E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109697
PNG
(3,4,5-Trihydroxy-benzoic acid 5-hydroxy-chroman-3-...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2cccc(O)c2C1
Show InChI InChI=1S/C16H14O7/c17-11-2-1-3-14-10(11)6-9(7-22-14)23-16(21)8-4-12(18)15(20)13(19)5-8/h1-5,9,17-20H,6-7H2
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n/an/a 8.70E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109688
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109693
PNG
(3,4-Dihydroxy-benzoic acid 5,7-dihydroxy-chroman-3...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-9-4-13(19)11-6-10(7-22-15(11)5-9)23-16(21)8-1-2-12(18)14(20)3-8/h1-5,10,17-20H,6-7H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109688
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109697
PNG
(3,4,5-Trihydroxy-benzoic acid 5-hydroxy-chroman-3-...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2cccc(O)c2C1
Show InChI InChI=1S/C16H14O7/c17-11-2-1-3-14-10(11)6-9(7-22-14)23-16(21)8-4-12(18)15(20)13(19)5-8/h1-5,9,17-20H,6-7H2
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n/an/a 6.47E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109693
PNG
(3,4-Dihydroxy-benzoic acid 5,7-dihydroxy-chroman-3...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-9-4-13(19)11-6-10(7-22-15(11)5-9)23-16(21)8-1-2-12(18)14(20)3-8/h1-5,10,17-20H,6-7H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109691
PNG
(3,5-Dihydroxy-benzoic acid 5,7-dihydroxy-chroman-3...)
Show SMILES Oc1cc(O)cc(c1)C(=O)OC1COc2cc(O)cc(O)c2C1
Show InChI InChI=1S/C16H14O7/c17-9-1-8(2-10(18)3-9)16(21)23-12-6-13-14(20)4-11(19)5-15(13)22-7-12/h1-5,12,17-20H,6-7H2
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n/an/a 9.63E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109696
PNG
(3,4,5-Trihydroxy-benzoic acid 7-hydroxy-chroman-3-...)
Show SMILES Oc1ccc2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-10-2-1-8-3-11(7-22-14(8)6-10)23-16(21)9-4-12(18)15(20)13(19)5-9/h1-2,4-6,11,17-20H,3,7H2
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n/an/a 3.08E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109693
PNG
(3,4-Dihydroxy-benzoic acid 5,7-dihydroxy-chroman-3...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-9-4-13(19)11-6-10(7-22-15(11)5-9)23-16(21)8-1-2-12(18)14(20)3-8/h1-5,10,17-20H,6-7H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50109689
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dimethoxy-chroma...)
Show SMILES COc1cc(OC)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C18H18O8/c1-23-10-6-15(24-2)12-5-11(8-25-16(12)7-10)26-18(22)9-3-13(19)17(21)14(20)4-9/h3-4,6-7,11,19-21H,5,8H2,1-2H3
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n/an/a 900n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00827-7
BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50105591
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl ...)
Show SMILES Oc1cc(O)c2CC(OC(=O)c3cc(O)c(O)c(O)c3)C(Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2
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n/an/a 2.80E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50131446
PNG
(CHEMBL419512 | Tetradecanoic acid (2S,3R)-2-(3,4-d...)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C29H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-26(33)35-25-19-21-15-17-23(31)27(34)29(21)36-28(25)20-14-16-22(30)24(32)18-20/h14-18,25,28,30-32,34H,2-13,19H2,1H3/t25-,28+/m1/s1
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n/an/a 1.02E+5n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Xanthine oxidase


Bioorg Med Chem Lett 13: 2777-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00494-3
BindingDB Entry DOI: 10.7270/Q2M61KS0
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50131449
PNG
(CHEMBL317730 | Octadecanoic acid (2S,3R)-2-(3,4-di...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C33H48O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(37)39-29-23-25-19-21-27(35)31(38)33(25)40-32(29)24-18-20-26(34)28(36)22-24/h18-22,29,32,34-36,38H,2-17,23H2,1H3/t29-,32+/m1/s1
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n/an/a 1.56E+5n/an/an/an/an/an/a



Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Xanthine oxidase


Bioorg Med Chem Lett 13: 2777-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00494-3
BindingDB Entry DOI: 10.7270/Q2M61KS0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50105584
PNG
(3-Hydroxy-benzoic acid 5,7-dihydroxy-chroman-3-yl ...)
Show SMILES Oc1cccc(c1)C(=O)OC1COc2cc(O)cc(O)c2C1
Show InChI InChI=1S/C16H14O6/c17-10-3-1-2-9(4-10)16(20)22-12-7-13-14(19)5-11(18)6-15(13)21-8-12/h1-6,12,17-19H,7-8H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00577-7
BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50088353
PNG
(5-(3,4-Dihydroxy-phenyl)-3-hydroxy-pentanoic acid ...)
Show SMILES OC(CCc1ccc(O)c(O)c1)CC(=O)O[C@H]1Cc2cc(O)c(O)cc2O[C@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H26O10/c27-16(4-1-13-2-5-17(28)19(30)7-13)11-25(34)35-24-10-15-9-21(32)22(33)12-23(15)36-26(24)14-3-6-18(29)20(31)8-14/h2-3,5-9,12,16,24,26-33H,1,4,10-11H2/t16?,24-,26-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer


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
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM84980
PNG
((-) EPIGALLOCATECHIN GALLATE)
Show SMILES Oc1cc(O)c2CC(OC(=O)c3ccc(O)c(O)c3O)C(Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-9-5-13(25)11-7-17(33-22(31)10-1-2-12(24)20(30)18(10)28)21(32-16(11)6-9)8-3-14(26)19(29)15(27)4-8/h1-6,17,21,23-30H,7H2
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n/an/a 2.21E+3n/an/an/an/an/a37



Eberhard Karls University of Tuebingen



Assay Description
The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C. For the JNK3 assay, kinase (10n...


Chembiochem 11: 2579-88 (2010)


Article DOI: 10.1002/cbic.201000487
BindingDB Entry DOI: 10.7270/Q21C1VDT
More data for this
Ligand-Target Pair