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Compile Data Set for Download or QSAR

Found 78 hits Enz. Inhib. hit(s) with all data for entry = 50049322   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50239006
PNG
(CHEMBL4060481)
Show SMILES Nc1c(sc2ncc(cc12)-c1ccsc1)-c1n[nH]c(=S)o1
Show InChI InChI=1S/C13H8N4OS3/c14-9-8-3-7(6-1-2-20-5-6)4-15-12(8)21-10(9)11-16-17-13(19)18-11/h1-5H,14H2,(H,17,19)
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n/an/a 29n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of DRAK2 (unknown origin)


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50238989
PNG
(CHEMBL4087337)
Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-
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n/an/a 250n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50238990
PNG
(CHEMBL4105195)
Show SMILES CCOc1cc(\C=C2/Oc3ccc(OC)cc3C2=O)ccc1O
Show InChI InChI=1S/C18H16O5/c1-3-22-16-8-11(4-6-14(16)19)9-17-18(20)13-10-12(21-2)5-7-15(13)23-17/h4-10,19H,3H2,1-2H3/b17-9-
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n/an/a 330n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50238997
PNG
(CHEMBL4076100)
Show SMILES CCOc1ccc2O\C(=C/c3ccc(O)c(OCC)c3)C(=O)c2c1
Show InChI InChI=1S/C19H18O5/c1-3-22-13-6-8-16-14(11-13)19(21)18(24-16)10-12-5-7-15(20)17(9-12)23-4-2/h5-11,20H,3-4H2,1-2H3/b18-10-
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n/an/a 410n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against monkey (Callithrix jacchus) plasma renin


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50238989
PNG
(CHEMBL4087337)
Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-
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n/an/a 510n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human TEK


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50238996
PNG
(CHEMBL4099371)
Show SMILES CCOc1cc(\C=C2/Oc3ccc(OC(C)=O)cc3C2=O)ccc1O
Show InChI InChI=1S/C19H16O6/c1-3-23-17-8-12(4-6-15(17)21)9-18-19(22)14-10-13(24-11(2)20)5-7-16(14)25-18/h4-10,21H,3H2,1-2H3/b18-9-
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n/an/a 690n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 850n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 950n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human TEK


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50238998
PNG
(CHEMBL4103220)
Show SMILES CCOc1cc(\C=C2/Oc3ccc(C)cc3C2=O)ccc1O
Show InChI InChI=1S/C18H16O4/c1-3-21-16-9-12(5-6-14(16)19)10-17-18(20)13-8-11(2)4-7-15(13)22-17/h4-10,19H,3H2,1-2H3/b17-10-
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n/an/a 960n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50238995
PNG
(CHEMBL4072438)
Show SMILES Oc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c16-9-2-4-13-10(7-9)15(19)14(20-13)6-8-1-3-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 990n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 1.02E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50238989
PNG
(CHEMBL4087337)
Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-
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n/an/a 1.05E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human AURORA-A


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50238999
PNG
(CHEMBL4072264)
Show SMILES CCOc1cc(\C=C2/Oc3ccc(F)cc3C2=O)ccc1O
Show InChI InChI=1S/C17H13FO4/c1-2-21-15-7-10(3-5-13(15)19)8-16-17(20)12-9-11(18)4-6-14(12)22-16/h3-9,19H,2H2,1H3/b16-8-
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n/an/a 1.05E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of hog man plasma renin activity


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50239011
PNG
(CHEMBL4074827)
Show SMILES CCOc1cc(\C=C2/Oc3c(cccc3OC)C2=O)ccc1O
Show InChI InChI=1S/C18H16O5/c1-3-22-15-9-11(7-8-13(15)19)10-16-17(20)12-5-4-6-14(21-2)18(12)23-16/h4-10,19H,3H2,1-2H3/b16-10-
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n/an/a 1.29E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 1.31E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50238990
PNG
(CHEMBL4105195)
Show SMILES CCOc1cc(\C=C2/Oc3ccc(OC)cc3C2=O)ccc1O
Show InChI InChI=1S/C18H16O5/c1-3-22-16-8-11(4-6-14(16)19)9-17-18(20)13-10-12(21-2)5-7-15(13)23-17/h4-10,19H,3H2,1-2H3/b17-9-
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n/an/a 1.41E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human DRAK1


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 1.50E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human CDK5


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50024284
PNG
(CHEMBL3334979)
Show SMILES COc1ccc(cc1OC)-c1cnc2scc(NC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
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n/an/a 1.72E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human DRAK1


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 1.95E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 2.02E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human ITK


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 2.16E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human CDK9


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50238989
PNG
(CHEMBL4087337)
Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-
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n/an/a 2.19E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human ITK


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 2.33E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human DAPK3


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50239003
PNG
(CHEMBL4101141)
Show SMILES CCOc1cc(\C=C2/Oc3cc(OC)ccc3C2=O)ccc1O
Show InChI InChI=1S/C18H16O5/c1-3-22-16-8-11(4-7-14(16)19)9-17-18(20)13-6-5-12(21-2)10-15(13)23-17/h4-10,19H,3H2,1-2H3/b17-9-
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n/an/a 2.44E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 2.44E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human CDK6


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 2.82E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human CDK4


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 2.88E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BLK


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM50238989
PNG
(CHEMBL4087337)
Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-
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n/an/a 3.05E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BLK


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Death-associated protein kinase 2


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 3.07E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human DAPK2


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50036932
PNG
(CHEMBL1478023 | US11866416, Compound SN-II-118)
Show SMILES Oc1ccc(\C=C2/Oc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-12(11)17)8-14-15(18)10-3-1-2-4-13(10)19-14/h1-8,16-17H/b14-8-
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n/an/a 3.08E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory constant for mouse kidney cytidine deaminase


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50238984
PNG
(CHEMBL2253274)
Show SMILES COc1cc(\C=C2/Oc3ccccc3C2=O)ccc1O
Show InChI InChI=1S/C16H12O4/c1-19-14-8-10(6-7-12(14)17)9-15-16(18)11-4-2-3-5-13(11)20-15/h2-9,17H,1H3/b15-9-
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n/an/a 3.11E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50238986
PNG
(CHEMBL2253275)
Show SMILES CCOc1cc(\C=C2/Oc3ccccc3C2=O)ccc1O
Show InChI InChI=1S/C17H14O4/c1-2-20-15-9-11(7-8-13(15)18)10-16-17(19)12-5-3-4-6-14(12)21-16/h3-10,18H,2H2,1H3/b16-10-
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n/an/a 3.24E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50239009
PNG
(CHEMBL4073831)
Show SMILES CCCCOc1ccc2O\C(=C/c3ccc(O)c(OCC)c3)C(=O)c2c1
Show InChI InChI=1S/C21H22O5/c1-3-5-10-25-15-7-9-18-16(13-15)21(23)20(26-18)12-14-6-8-17(22)19(11-14)24-4-2/h6-9,11-13,22H,3-5,10H2,1-2H3/b20-12-
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n/an/a 3.66E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 4.26E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human JAK3


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 4.63E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human SYK


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50238990
PNG
(CHEMBL4105195)
Show SMILES CCOc1cc(\C=C2/Oc3ccc(OC)cc3C2=O)ccc1O
Show InChI InChI=1S/C18H16O5/c1-3-22-16-8-11(4-6-14(16)19)9-17-18(20)13-10-12(21-2)5-7-15(13)23-17/h4-10,19H,3H2,1-2H3/b17-9-
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n/an/a 5.00E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of rat plasma renin activity


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50238990
PNG
(CHEMBL4105195)
Show SMILES CCOc1cc(\C=C2/Oc3ccc(OC)cc3C2=O)ccc1O
Show InChI InChI=1S/C18H16O5/c1-3-22-16-8-11(4-6-14(16)19)9-17-18(20)13-10-12(21-2)5-7-15(13)23-17/h4-10,19H,3H2,1-2H3/b17-9-
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n/an/a 5.01E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50238989
PNG
(CHEMBL4087337)
Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-
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n/an/a 5.03E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM50238990
PNG
(CHEMBL4105195)
Show SMILES CCOc1cc(\C=C2/Oc3ccc(OC)cc3C2=O)ccc1O
Show InChI InChI=1S/C18H16O5/c1-3-22-16-8-11(4-6-14(16)19)9-17-18(20)13-10-12(21-2)5-7-15(13)23-17/h4-10,19H,3H2,1-2H3/b17-9-
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n/an/a 5.26E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BLK


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50238989
PNG
(CHEMBL4087337)
Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-
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n/an/a 5.30E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibitory activity against the thymidylate synthase in the Permeabilized L1210 cells


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50239013
PNG
(CHEMBL4101308)
Show SMILES CCCOc1cc(\C=C2/Oc3ccccc3C2=O)ccc1O
Show InChI InChI=1S/C18H16O4/c1-2-9-21-16-10-12(7-8-14(16)19)11-17-18(20)13-5-3-4-6-15(13)22-17/h3-8,10-11,19H,2,9H2,1H3/b17-11-
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n/an/a 5.37E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50238989
PNG
(CHEMBL4087337)
Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-
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n/an/a 5.81E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human DRAK1


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 5.85E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human DRAK1


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 6.02E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human BTK


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50238990
PNG
(CHEMBL4105195)
Show SMILES CCOc1cc(\C=C2/Oc3ccc(OC)cc3C2=O)ccc1O
Show InChI InChI=1S/C18H16O5/c1-3-22-16-8-11(4-6-14(16)19)9-17-18(20)13-10-12(21-2)5-7-15(13)23-17/h4-10,19H,3H2,1-2H3/b17-9-
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n/an/a 6.23E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human IKKB


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Death-associated protein kinase 2


(Homo sapiens (Human))
BDBM50238989
PNG
(CHEMBL4087337)
Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-
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n/an/a 6.34E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory constant for adenosine deaminase (ADA)


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50238985
PNG
(CHEMBL4093574)
Show SMILES COc1cc(\C=C2/Oc3ccccc3C2=O)cc(OC)c1O
Show InChI InChI=1S/C17H14O5/c1-20-13-7-10(8-14(21-2)17(13)19)9-15-16(18)11-5-3-4-6-12(11)22-15/h3-9,19H,1-2H3/b15-9-
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n/an/a 6.65E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50239002
PNG
(CHEMBL4105654)
Show SMILES CCOc1cc(\C=C2/Oc3ccc(N)cc3C2=O)ccc1O
Show InChI InChI=1S/C17H15NO4/c1-2-21-15-7-10(3-5-13(15)19)8-16-17(20)12-9-11(18)4-6-14(12)22-16/h3-9,19H,2,18H2,1H3/b16-8-
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n/an/a 7.16E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50238994
PNG
(CHEMBL4095019)
Show SMILES CCOc1cc(\C=C2/Oc3cccc(OC)c3C2=O)ccc1O
Show InChI InChI=1S/C18H16O5/c1-3-22-15-9-11(7-8-12(15)19)10-16-18(20)17-13(21-2)5-4-6-14(17)23-16/h4-10,19H,3H2,1-2H3/b16-10-
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n/an/a 7.26E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50238989
PNG
(CHEMBL4087337)
Show SMILES COc1ccc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-20-10-3-5-14-11(8-10)16(19)15(21-14)7-9-2-4-12(17)13(18)6-9/h2-8,17-18H,1H3/b15-7-
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n/an/a 8.84E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human CDK5


Eur J Med Chem 130: 195-208 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.048
BindingDB Entry DOI: 10.7270/Q2XW4N3P
More data for this
Ligand-Target Pair
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