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14 similar compounds to monomer 50297252

Compile data set for download or QSAR
Wt: 316.2
BDBM23410
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Wt: 330.2
BDBM50240614
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Wt: 330.2
BDBM50292355
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Wt: 426.8
BDBM50297253
Wt: 417.3
BDBM50297254
Wt: 438.8
BDBM50297255
Wt: 438.8
BDBM50297256
Wt: 429.3
BDBM50297257
Wt: 316.2
BDBM50326483
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Wt: 316.2
BDBM50325674
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Wt: 410.3
BDBM50017687
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Wt: 410.3
BDBM50017685
Wt: 410.3
BDBM50017688
Wt: 410.3
BDBM50017693

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 23410,50240614,50292355,50297253,50297254,50297255,50297256,50297257,50326483,50325674,50017687,50017685,50017688,50017693   
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
alpha-Amylase


(Homo sapiens (Human))
BDBM23410
PNG
(2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
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PubMed
n/an/an/an/an/an/an/a6.022



Nestle Research Center



Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


J Med Chem 51: 3555-61 (2008)


Article DOI: 10.1021/jm800115x
BindingDB Entry DOI: 10.7270/Q237771Z
More data for this
Ligand-Target Pair
ELAV-like protein 3


(Homo sapiens)
BDBM23410
PNG
(2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Inhibition of ELAV3 (unknown origin)-artificial ARE complex formation after 30 mins in the presence of biotin-labeled RNA probe by chemiluminescence ...


J Med Chem 60: 8257-8267 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50240614
PNG
(3,5-Dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-met...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,18-19,21H,1-2H3
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n/an/a 5.54E+4n/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
Aurora kinase B


(Homo sapiens (Human))
BDBM50325674
PNG
(3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-...)
Show SMILES COc1ccc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
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n/an/a 7.39E+3n/an/an/an/an/an/a



Konkuk University



Assay Description
The kinase assay was performed using the EMD Millipore KinaseProfiler service assay protocol. Aurora B kinase was supplied by EMD Millipore Corp. The...


Chem Biol Drug Des 85: 574-85 (2015)


Article DOI: 10.1111/cbdd.12445
BindingDB Entry DOI: 10.7270/Q2M61J08
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM23410
PNG
(2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
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n/an/a 6.16E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage


J Med Chem 38: 890-7 (1995)


Article DOI: 10.1021/jm00006a006
BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017685
PNG
(CHEMBL3288958)
Show SMILES Oc1cc(OCc2ccc(F)cc2)c2c(c1)oc(c(O)c2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-17-8-14(24)9-18-19(17)20(27)21(28)22(30-18)12-3-6-15(25)16(26)7-12/h1-9,24-26,28H,10H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior t...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017687
PNG
(CHEMBL3288959)
Show SMILES Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccc(O)c(OCc2ccc(F)cc2)c1
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-17-7-12(3-6-15(17)25)22-21(28)20(27)19-16(26)8-14(24)9-18(19)30-22/h1-9,24-26,28H,10H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior t...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017688
PNG
(CHEMBL3288960)
Show SMILES Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccc(OCc2ccc(F)cc2)c(O)c1
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-17-6-3-12(7-15(17)25)22-21(28)20(27)19-16(26)8-14(24)9-18(19)30-22/h1-9,24-26,28H,10H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior t...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017685
PNG
(CHEMBL3288958)
Show SMILES Oc1cc(OCc2ccc(F)cc2)c2c(c1)oc(c(O)c2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-17-8-14(24)9-18-19(17)20(27)21(28)22(30-18)12-3-6-15(25)16(26)7-12/h1-9,24-26,28H,10H2
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n/an/a 7.60E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase strand transfer activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017687
PNG
(CHEMBL3288959)
Show SMILES Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccc(O)c(OCc2ccc(F)cc2)c1
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-17-7-12(3-6-15(17)25)22-21(28)20(27)19-16(26)8-14(24)9-18(19)30-22/h1-9,24-26,28H,10H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase strand transfer activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017688
PNG
(CHEMBL3288960)
Show SMILES Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccc(OCc2ccc(F)cc2)c(O)c1
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-17-6-3-12(7-15(17)25)22-21(28)20(27)19-16(26)8-14(24)9-18(19)30-22/h1-9,24-26,28H,10H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase strand transfer activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017685
PNG
(CHEMBL3288958)
Show SMILES Oc1cc(OCc2ccc(F)cc2)c2c(c1)oc(c(O)c2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-17-8-14(24)9-18-19(17)20(27)21(28)22(30-18)12-3-6-15(25)16(26)7-12/h1-9,24-26,28H,10H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017687
PNG
(CHEMBL3288959)
Show SMILES Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccc(O)c(OCc2ccc(F)cc2)c1
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-17-7-12(3-6-15(17)25)22-21(28)20(27)19-16(26)8-14(24)9-18(19)30-22/h1-9,24-26,28H,10H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017688
PNG
(CHEMBL3288960)
Show SMILES Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccc(OCc2ccc(F)cc2)c(O)c1
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-17-6-3-12(7-15(17)25)22-21(28)20(27)19-16(26)8-14(24)9-18(19)30-22/h1-9,24-26,28H,10H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017693
PNG
(CHEMBL3288712)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3ccc(F)cc3)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-14-8-17(26)19-18(9-14)30-22(21(28)20(19)27)12-3-6-15(24)16(25)7-12/h1-9,24-26,28H,10H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior t...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017693
PNG
(CHEMBL3288712)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3ccc(F)cc3)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-14-8-17(26)19-18(9-14)30-22(21(28)20(19)27)12-3-6-15(24)16(25)7-12/h1-9,24-26,28H,10H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase strand transfer activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50017693
PNG
(CHEMBL3288712)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3ccc(F)cc3)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-14-8-17(26)19-18(9-14)30-22(21(28)20(19)27)12-3-6-15(24)16(25)7-12/h1-9,24-26,28H,10H2
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n/an/a 940n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297256
PNG
(2-Benzo[1,3]dioxol-5-yl-7-(3-chloro-benzyloxy)-3,5...)
Show SMILES Oc1cc(OCc2cccc(Cl)c2)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C23H15ClO7/c24-14-3-1-2-12(6-14)10-28-15-8-16(25)20-19(9-15)31-23(22(27)21(20)26)13-4-5-17-18(7-13)30-11-29-17/h1-9,25,27H,10-11H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SARS coronavirus helicase assessed as phosphate release by malachite green assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297256
PNG
(2-Benzo[1,3]dioxol-5-yl-7-(3-chloro-benzyloxy)-3,5...)
Show SMILES Oc1cc(OCc2cccc(Cl)c2)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C23H15ClO7/c24-14-3-1-2-12(6-14)10-28-15-8-16(25)20-19(9-15)31-23(22(27)21(20)26)13-4-5-17-18(7-13)30-11-29-17/h1-9,25,27H,10-11H2
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n/an/a 1.54E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297254
PNG
(3-[2-(3,4-Dihydroxy-phenyl)-3,5-dihydroxy-4-oxo-4H...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3cccc(c3)C#N)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C23H15NO7/c24-10-12-2-1-3-13(6-12)11-30-15-8-18(27)20-19(9-15)31-23(22(29)21(20)28)14-4-5-16(25)17(26)7-14/h1-9,25-27,29H,11H2
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n/an/a 2.54E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SARS coronavirus helicase assessed as phosphate release by malachite green assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297253
PNG
(7-(3-Chloro-benzyloxy)-2-(3,4-dihydroxy-phenyl)-3,...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3cccc(Cl)c3)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C22H15ClO7/c23-13-3-1-2-11(6-13)10-29-14-8-17(26)19-18(9-14)30-22(21(28)20(19)27)12-4-5-15(24)16(25)7-12/h1-9,24-26,28H,10H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SARS coronavirus helicase assessed as phosphate release by malachite green assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297254
PNG
(3-[2-(3,4-Dihydroxy-phenyl)-3,5-dihydroxy-4-oxo-4H...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3cccc(c3)C#N)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C23H15NO7/c24-10-12-2-1-3-13(6-12)11-30-15-8-18(27)20-19(9-15)31-23(22(29)21(20)28)14-4-5-16(25)17(26)7-14/h1-9,25-27,29H,11H2
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n/an/a 2.70E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297257
PNG
(3-(2-Benzo[1,3]dioxol-5-yl-3,5-dihydroxy-4-oxo-4H-...)
Show SMILES Oc1cc(OCc2cccc(c2)C#N)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H15NO7/c25-10-13-2-1-3-14(6-13)11-29-16-8-17(26)21-20(9-16)32-24(23(28)22(21)27)15-4-5-18-19(7-15)31-12-30-18/h1-9,26,28H,11-12H2
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n/an/a 4.29E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SARS coronavirus helicase assessed as phosphate release by malachite green assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297253
PNG
(7-(3-Chloro-benzyloxy)-2-(3,4-dihydroxy-phenyl)-3,...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCc3cccc(Cl)c3)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C22H15ClO7/c23-13-3-1-2-11(6-13)10-29-14-8-17(26)19-18(9-14)30-22(21(28)20(19)27)12-4-5-15(24)16(25)7-12/h1-9,24-26,28H,10H2
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n/an/a 5.20E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297255
PNG
(2-Benzo[1,3]dioxol-5-yl-7-(4-chloro-benzyloxy)-3,5...)
Show SMILES Oc1cc(OCc2ccc(Cl)cc2)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C23H15ClO7/c24-14-4-1-12(2-5-14)10-28-15-8-16(25)20-19(9-15)31-23(22(27)21(20)26)13-3-6-17-18(7-13)30-11-29-17/h1-9,25,27H,10-11H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SARS coronavirus helicase assessed as phosphate release by malachite green assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297257
PNG
(3-(2-Benzo[1,3]dioxol-5-yl-3,5-dihydroxy-4-oxo-4H-...)
Show SMILES Oc1cc(OCc2cccc(c2)C#N)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H15NO7/c25-10-13-2-1-3-14(6-13)11-29-16-8-17(26)21-20(9-16)32-24(23(28)22(21)27)15-4-5-18-19(7-15)31-12-30-18/h1-9,26,28H,11-12H2
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n/an/a 8.10E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50297255
PNG
(2-Benzo[1,3]dioxol-5-yl-7-(4-chloro-benzyloxy)-3,5...)
Show SMILES Oc1cc(OCc2ccc(Cl)cc2)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C23H15ClO7/c24-14-4-1-12(2-5-14)10-28-15-8-16(25)20-19(9-15)31-23(22(27)21(20)26)13-3-6-17-18(7-13)30-11-29-17/h1-9,25,27H,10-11H2
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n/an/a 9.30E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 4538-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.009
BindingDB Entry DOI: 10.7270/Q2H41RGD
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50292355
PNG
(CHEMBL457148 | Rhamnazin)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(OC)c1)c(O)c2=O
Show InChI InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-10(18)12(5-8)23-2/h3-7,18-19,21H,1-2H3
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n/an/a>9.10E+4n/an/an/an/an/an/a



Fukuyama University

Curated by ChEMBL


Assay Description
Inhibition of pig lens aldose reductase by spectrophotometry


J Nat Prod 59: 443-5 (1996)


Article DOI: 10.1021/np9601622
BindingDB Entry DOI: 10.7270/Q29Z94X7
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50325674
PNG
(3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-...)
Show SMILES COc1ccc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
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n/an/a 1.22E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 by EROD assay


Bioorg Med Chem 18: 6310-5 (2010)


Article DOI: 10.1016/j.bmc.2010.07.020
BindingDB Entry DOI: 10.7270/Q2GB248D
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50325674
PNG
(3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-...)
Show SMILES COc1ccc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
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n/an/a 120n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A1 by EROD assay


Bioorg Med Chem 18: 6310-5 (2010)


Article DOI: 10.1016/j.bmc.2010.07.020
BindingDB Entry DOI: 10.7270/Q2GB248D
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50325674
PNG
(3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-...)
Show SMILES COc1ccc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
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n/an/a 20n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of human CYP1B1 by EROD assay


Bioorg Med Chem 18: 6310-5 (2010)


Article DOI: 10.1016/j.bmc.2010.07.020
BindingDB Entry DOI: 10.7270/Q2GB248D
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50326483
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-4H...)
Show SMILES COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12
Show InChI InChI=1S/C16H12O7/c1-22-11-5-8(17)6-12-13(11)14(20)15(21)16(23-12)7-2-3-9(18)10(19)4-7/h2-6,17-19,21H,1H3
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n/an/a 740n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of NOX4 expressed in HEK293 FS cells assessed as H2O2 production by H2O2/Tyr/LPO assay


J Med Chem 53: 6758-62 (2010)


Article DOI: 10.1021/jm1004368
BindingDB Entry DOI: 10.7270/Q2F18ZZ5
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM23410
PNG
(2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase using D-glyceraldehyde as substrate preincubated for 10 mins before substrate addition measured for ...


Bioorg Med Chem 20: 1251-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.033
BindingDB Entry DOI: 10.7270/Q2639Q5V
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM23410
PNG
(2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
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n/an/a 2.87E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration


J Med Chem 38: 890-7 (1995)


Article DOI: 10.1021/jm00006a006
BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM23410
PNG
(2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
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n/an/a 7.39E+4n/an/an/an/an/an/a



Universit£ degli Studi della Basilicata

Curated by ChEMBL


Assay Description
Inhibition of hog pancreas alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by ...


J Nat Prod 79: 2104-12 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00484
BindingDB Entry DOI: 10.7270/Q2QN68R4
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50240614
PNG
(3,5-Dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-met...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,18-19,21H,1-2H3
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n/an/a 7.70E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry


J Nat Prod 61: 71-6 (1998)


Article DOI: 10.1021/np970237h
BindingDB Entry DOI: 10.7270/Q29C6Z93
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50240614
PNG
(3,5-Dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-met...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,18-19,21H,1-2H3
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n/an/a 3.98E+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