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29 similar compounds to monomer 50105584

Compile data set for download or QSAR
Wt: 458.3
BDBM50070942
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Wt: 458.3
BDBM50093882
Purchase
Wt: 318.2
BDBM50105585
Wt: 318.2
BDBM50105586
Wt: 286.2
BDBM50105587
Wt: 302.2
BDBM50105588
Wt: 334.2
BDBM50105589
Wt: 318.2
BDBM50105590
Wt: 442.3
BDBM50105591
Purchase
Wt: 318.2
BDBM50105593
Wt: 334.2
BDBM50109688
Wt: 362.3
BDBM50109689
Wt: 318.2
BDBM50109691
Wt: 318.2
BDBM50109693
Wt: 302.2
BDBM50109694
Displayed 1 to 15 (of 29 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 96 hits for monomerid = 50070942,50093882,50105585,50105586,50105587,50105588,50105589,50105590,50105591,50105593,50109688,50109689,50109691,50109693,50109694   
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
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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8n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum ENR in presence of triclosan


J Med Chem 50: 765-75 (2007)


Article DOI: 10.1021/jm061154d
BindingDB Entry DOI: 10.7270/Q2QJ7J4Q
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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28n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Dixon plot analysis


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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79n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum ENR using crotonyl-CoA substrate


J Med Chem 50: 765-75 (2007)


Article DOI: 10.1021/jm061154d
BindingDB Entry DOI: 10.7270/Q2QJ7J4Q
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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186n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum ENR using NADH substrate


J Med Chem 50: 765-75 (2007)


Article DOI: 10.1021/jm061154d
BindingDB Entry DOI: 10.7270/Q2QJ7J4Q
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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330n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of MET kinase by Dixon plot analysis


J Med Chem 52: 6543-5 (2009)


Article DOI: 10.1021/jm901330e
BindingDB Entry DOI: 10.7270/Q2M908RG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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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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
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Horizon Discovery

Curated by ChEMBL


Assay Description
Inhibition of full length Pin1 (unknown origin) using WFY(pS)PR-pNA as substrate by spectrophotometric analysis


Bioorg Med Chem Lett 23: 4283-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.088
BindingDB Entry DOI: 10.7270/Q2DV1M9T
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/an/an/a 5.89E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/an/an/a 727n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase VII


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 700n/an/an/an/a7.322



Schering Plough Research Institute



Assay Description
A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase VII


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 2.20E+3n/an/an/an/a7.322



Schering Plough Research Institute



Assay Description
A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase IV


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 1.80E+3n/an/an/an/a7.322



Schering Plough Research Institute



Assay Description
A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
Alpha-(2,3)-(N)-sialyltransferase


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 2.70E+4n/an/an/an/a7.322



Schering Plough Research Institute



Assay Description
A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 2.10E+4n/an/an/an/a7.322



Schering Plough Research Institute



Assay Description
Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 3.70E+3n/an/an/an/a7.522



Schering Plough Research Institute



Assay Description
A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 8.30E+3n/an/an/an/a7.522



Schering Plough Research Institute



Assay Description
A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 91n/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)
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)
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)
BDBM50105587
PNG
(Benzoic acid 5,7-dihydroxy-chroman-3-yl ester | CH...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccccc1
Show InChI InChI=1S/C16H14O5/c17-11-6-14(18)13-8-12(9-20-15(13)7-11)21-16(19)10-4-2-1-3-5-10/h1-7,12,17-18H,8-9H2
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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)
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)
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)
BDBM50105587
PNG
(Benzoic acid 5,7-dihydroxy-chroman-3-yl ester | CH...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccccc1
Show InChI InChI=1S/C16H14O5/c17-11-6-14(18)13-8-12(9-20-15(13)7-11)21-16(19)10-4-2-1-3-5-10/h1-7,12,17-18H,8-9H2
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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)
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)
BDBM50105587
PNG
(Benzoic acid 5,7-dihydroxy-chroman-3-yl ester | CH...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccccc1
Show InChI InChI=1S/C16H14O5/c17-11-6-14(18)13-8-12(9-20-15(13)7-11)21-16(19)10-4-2-1-3-5-10/h1-7,12,17-18H,8-9H2
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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)
BDBM50105587
PNG
(Benzoic acid 5,7-dihydroxy-chroman-3-yl ester | CH...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccccc1
Show InChI InChI=1S/C16H14O5/c17-11-6-14(18)13-8-12(9-20-15(13)7-11)21-16(19)10-4-2-1-3-5-10/h1-7,12,17-18H,8-9H2
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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 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 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
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 1.55E+5n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 (unknown origin) by luciferase refolding assay


Bioorg Med Chem Lett 24: 2263-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.088
BindingDB Entry DOI: 10.7270/Q2RF5WK6
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



CSIRO Manufacturing Flagship (Biomedical)

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta1-42 (unknown origin) aggregation assessed as amyloid fibril formation tested after 17 hrs by thioflavin T fluorescence met...


Bioorg Med Chem Lett 24: 3108-12 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.008
BindingDB Entry DOI: 10.7270/Q2S1842P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MT1-MMP expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FAS


Bioorg Med Chem Lett 20: 6045-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.061
BindingDB Entry DOI: 10.7270/Q2TT4R6N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 7.60n/an/an/an/an/an/a



Beijing Institute of Pharmacology and Toxicology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 using Eu-CEVNLDAEFK-Qsy7 as substrate by HTRF assay


Bioorg Med Chem Lett 22: 1408-14 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.034
BindingDB Entry DOI: 10.7270/Q24Q7VGC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Beijing Institute of Pharmacology and Toxicology

Curated by ChEMBL


Assay Description
Inhibition of BACE1 using Rh-EVNLDAEFK-Quencher as substrate


Bioorg Med Chem Lett 22: 1408-14 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.034
BindingDB Entry DOI: 10.7270/Q24Q7VGC
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot...


J Med Chem 58: 2569-83 (2015)


Article DOI: 10.1021/jm500843d
BindingDB Entry DOI: 10.7270/Q24T6M36
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated at 37 degC for 16 hrs by thioflavin T fluorescence assay


J Nat Prod 78: 1221-30 (2015)


Article DOI: 10.1021/np500912t
BindingDB Entry DOI: 10.7270/Q2RV0QD4
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 123n/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversible of paclitaxel resistance measured as IC50 for pa...


J Med Chem 58: 4529-49 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00085
BindingDB Entry DOI: 10.7270/Q2N29ZP5
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 124n/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversible of paclitaxel resistance measured as IC50 for pa...


J Med Chem 58: 4529-49 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00085
BindingDB Entry DOI: 10.7270/Q2N29ZP5
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)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/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/t18-,21-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



India; Academy of Scientific& Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Inhibition of rat Dyrk1A using Woodtide as substrate after 40 mins by P81 membrane assay in presence of [33P]-g-ATP


Bioorg Med Chem Lett 25: 2948-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.034
BindingDB Entry DOI: 10.7270/Q21V5GR3
More data for this
Ligand-Target Pair
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