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Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'antolovic' and Initial = 'r'   
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
Cholinesterase


(Homo sapiens (Human))
BDBM50049391
PNG
(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
Show InChI InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
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PubMed
6.90E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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PubMed
7.50E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells at 10 umol/L by ELISA


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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PubMed
1.02E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells at 30 umol/L by ELISA


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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PubMed
3.74E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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PubMed
3.78E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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PubMed
3.83E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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PubMed
4.31E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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PubMed
6.58E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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PubMed
6.80E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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PubMed
7.10E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50049391
PNG
(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
Show InChI InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
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PubMed
8.56E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
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Article
PubMed
9.00E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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PubMed
9.28E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
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PubMed
1.00E+5n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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Article
PubMed
1.22E+5n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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PubMed
1.66E+5n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50217942
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chr...)
Show SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-30,32-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
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PubMed
>3.00E+5n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50217942
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chr...)
Show SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-30,32-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
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Article
PubMed
5.01E+5n/an/an/an/an/an/an/an/a



Institute for Medical Research and Occupational Health

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE by Ellman's method


Eur J Med Chem 45: 186-92 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.041
BindingDB Entry DOI: 10.7270/Q2BP03Q8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 1 min by ELISA in presence of 1 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 20 mins by ELISA in presence of 1 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 36n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 1 min by ELISA in presence of 10 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 83n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 20 mins by ELISA in presence of 10 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 270n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 1 min by ELISA in presence of 100 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 510n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 20 mins by ELISA in presence of 100 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 20 mins by ELISA in presence of 1 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 20 mins by ELISA in presence of 10 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 20 mins by ELISA in presence of 100 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 1 min by ELISA in presence of 1 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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n/an/a 6.30E+4n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 1 min by ELISA in presence of 100 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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n/an/a 7.40E+4n/an/an/an/an/an/a



GlaxoSmithKline Research Centre Zagreb

Curated by ChEMBL


Assay Description
Inhibition of human Fyn expressed in Sf9 cells after 1 min by ELISA in presence of 10 umol/L ATP


J Med Chem 50: 1090-100 (2007)


Article DOI: 10.1021/jm0607202
BindingDB Entry DOI: 10.7270/Q2F190H4
More data for this
Ligand-Target Pair