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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50017671   
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
Tyrosine-protein kinase Lyn


(Rattus norvegicus)
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of rat spleen Lyn


J Med Chem 49: 2363-6 (2006)


Article DOI: 10.1021/jm060112m
BindingDB Entry DOI: 10.7270/Q2ZP45RN
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of PKA


J Med Chem 49: 2363-6 (2006)


Article DOI: 10.1021/jm060112m
BindingDB Entry DOI: 10.7270/Q2ZP45RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Rattus norvegicus)
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of rat spleen SYK


J Med Chem 49: 2363-6 (2006)


Article DOI: 10.1021/jm060112m
BindingDB Entry DOI: 10.7270/Q2ZP45RN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


J Med Chem 49: 2363-6 (2006)


Article DOI: 10.1021/jm060112m
BindingDB Entry DOI: 10.7270/Q2ZP45RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fgr


(Rattus norvegicus)
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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Article
PubMed
n/an/a 9.40E+3n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of rat spleen FGR


J Med Chem 49: 2363-6 (2006)


Article DOI: 10.1021/jm060112m
BindingDB Entry DOI: 10.7270/Q2ZP45RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Rattus norvegicus)
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of rat spleen CSK


J Med Chem 49: 2363-6 (2006)


Article DOI: 10.1021/jm060112m
BindingDB Entry DOI: 10.7270/Q2ZP45RN
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1a


J Med Chem 49: 2363-6 (2006)


Article DOI: 10.1021/jm060112m
BindingDB Entry DOI: 10.7270/Q2ZP45RN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of RET


J Med Chem 49: 2363-6 (2006)


Article DOI: 10.1021/jm060112m
BindingDB Entry DOI: 10.7270/Q2ZP45RN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK


J Med Chem 49: 2363-6 (2006)


Article DOI: 10.1021/jm060112m
BindingDB Entry DOI: 10.7270/Q2ZP45RN
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of FLT3


J Med Chem 49: 2363-6 (2006)


Article DOI: 10.1021/jm060112m
BindingDB Entry DOI: 10.7270/Q2ZP45RN
More data for this
Ligand-Target Pair