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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'castagliuolo' and Initial = 'i'   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50439335
PNG
(CHEMBL2419760)
Show SMILES C1Oc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2O1
Show InChI InChI=1S/C21H15N3O2/c1-2-5-14(6-3-1)15-7-4-8-16(9-15)24-21-17-10-19-20(26-13-25-19)11-18(17)22-12-23-21/h1-12H,13H2,(H,22,23,24)
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n/an/a 2n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50439334
PNG
(CHEMBL2419761)
Show SMILES C1COc2cc3c(Nc4cccc(c4)-c4ccccc4)ncnc3cc2O1
Show InChI InChI=1S/C22H17N3O2/c1-2-5-15(6-3-1)16-7-4-8-17(11-16)25-22-18-12-20-21(27-10-9-26-20)13-19(18)23-14-24-22/h1-8,11-14H,9-10H2,(H,23,24,25)
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n/an/a 24n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50439334
PNG
(CHEMBL2419761)
Show SMILES C1COc2cc3c(Nc4cccc(c4)-c4ccccc4)ncnc3cc2O1
Show InChI InChI=1S/C22H17N3O2/c1-2-5-15(6-3-1)16-7-4-8-17(11-16)25-22-18-12-20-21(27-10-9-26-20)13-19(18)23-14-24-22/h1-8,11-14H,9-10H2,(H,23,24,25)
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n/an/a 24n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl (unknown origin)


Eur J Med Chem 67: 373-83 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.057
BindingDB Entry DOI: 10.7270/Q2SN0BCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50439333
PNG
(CHEMBL2419762)
Show SMILES C1COc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2OC1
Show InChI InChI=1S/C23H19N3O2/c1-2-6-16(7-3-1)17-8-4-9-18(12-17)26-23-19-13-21-22(28-11-5-10-27-21)14-20(19)24-15-25-23/h1-4,6-9,12-15H,5,10-11H2,(H,24,25,26)
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50439335
PNG
(CHEMBL2419760)
Show SMILES C1Oc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2O1
Show InChI InChI=1S/C21H15N3O2/c1-2-5-14(6-3-1)15-7-4-8-16(9-15)24-21-17-10-19-20(26-13-25-19)11-18(17)22-12-23-21/h1-12H,13H2,(H,22,23,24)
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n/an/a 32n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50439334
PNG
(CHEMBL2419761)
Show SMILES C1COc2cc3c(Nc4cccc(c4)-c4ccccc4)ncnc3cc2O1
Show InChI InChI=1S/C22H17N3O2/c1-2-5-15(6-3-1)16-7-4-8-17(11-16)25-22-18-12-20-21(27-10-9-26-20)13-19(18)23-14-24-22/h1-8,11-14H,9-10H2,(H,23,24,25)
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n/an/a 42n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/a 44n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50439335
PNG
(CHEMBL2419760)
Show SMILES C1Oc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2O1
Show InChI InChI=1S/C21H15N3O2/c1-2-5-14(6-3-1)15-7-4-8-16(9-15)24-21-17-10-19-20(26-13-25-19)11-18(17)22-12-23-21/h1-12H,13H2,(H,22,23,24)
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50439335
PNG
(CHEMBL2419760)
Show SMILES C1Oc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2O1
Show InChI InChI=1S/C21H15N3O2/c1-2-5-14(6-3-1)15-7-4-8-16(9-15)24-21-17-10-19-20(26-13-25-19)11-18(17)22-12-23-21/h1-12H,13H2,(H,22,23,24)
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n/an/a 51n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl (unknown origin)


Eur J Med Chem 67: 373-83 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.057
BindingDB Entry DOI: 10.7270/Q2SN0BCC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50439333
PNG
(CHEMBL2419762)
Show SMILES C1COc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2OC1
Show InChI InChI=1S/C23H19N3O2/c1-2-6-16(7-3-1)17-8-4-9-18(12-17)26-23-19-13-21-22(28-11-5-10-27-21)14-20(19)24-15-25-23/h1-4,6-9,12-15H,5,10-11H2,(H,24,25,26)
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n/an/a 56n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl (unknown origin)


Eur J Med Chem 67: 373-83 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.057
BindingDB Entry DOI: 10.7270/Q2SN0BCC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50439333
PNG
(CHEMBL2419762)
Show SMILES C1COc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2OC1
Show InChI InChI=1S/C23H19N3O2/c1-2-6-16(7-3-1)17-8-4-9-18(12-17)26-23-19-13-21-22(28-11-5-10-27-21)14-20(19)24-15-25-23/h1-4,6-9,12-15H,5,10-11H2,(H,24,25,26)
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50439333
PNG
(CHEMBL2419762)
Show SMILES C1COc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2OC1
Show InChI InChI=1S/C23H19N3O2/c1-2-6-16(7-3-1)17-8-4-9-18(12-17)26-23-19-13-21-22(28-11-5-10-27-21)14-20(19)24-15-25-23/h1-4,6-9,12-15H,5,10-11H2,(H,24,25,26)
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n/an/a 63n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analys...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50439335
PNG
(CHEMBL2419760)
Show SMILES C1Oc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2O1
Show InChI InChI=1S/C21H15N3O2/c1-2-5-14(6-3-1)15-7-4-8-16(9-15)24-21-17-10-19-20(26-13-25-19)11-18(17)22-12-23-21/h1-12H,13H2,(H,22,23,24)
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n/an/a 63n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analys...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50439334
PNG
(CHEMBL2419761)
Show SMILES C1COc2cc3c(Nc4cccc(c4)-c4ccccc4)ncnc3cc2O1
Show InChI InChI=1S/C22H17N3O2/c1-2-5-15(6-3-1)16-7-4-8-17(11-16)25-22-18-12-20-21(27-10-9-26-20)13-19(18)23-14-24-22/h1-8,11-14H,9-10H2,(H,23,24,25)
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n/an/a 100n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin)


Eur J Med Chem 67: 373-83 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.057
BindingDB Entry DOI: 10.7270/Q2SN0BCC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50439334
PNG
(CHEMBL2419761)
Show SMILES C1COc2cc3c(Nc4cccc(c4)-c4ccccc4)ncnc3cc2O1
Show InChI InChI=1S/C22H17N3O2/c1-2-5-15(6-3-1)16-7-4-8-17(11-16)25-22-18-12-20-21(27-10-9-26-20)13-19(18)23-14-24-22/h1-8,11-14H,9-10H2,(H,23,24,25)
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analys...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/a 190n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50439335
PNG
(CHEMBL2419760)
Show SMILES C1Oc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2O1
Show InChI InChI=1S/C21H15N3O2/c1-2-5-14(6-3-1)15-7-4-8-16(9-15)24-21-17-10-19-20(26-13-25-19)11-18(17)22-12-23-21/h1-12H,13H2,(H,22,23,24)
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n/an/a 243n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin)


Eur J Med Chem 67: 373-83 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.057
BindingDB Entry DOI: 10.7270/Q2SN0BCC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50439334
PNG
(CHEMBL2419761)
Show SMILES C1COc2cc3c(Nc4cccc(c4)-c4ccccc4)ncnc3cc2O1
Show InChI InChI=1S/C22H17N3O2/c1-2-5-15(6-3-1)16-7-4-8-17(11-16)25-22-18-12-20-21(27-10-9-26-20)13-19(18)23-14-24-22/h1-8,11-14H,9-10H2,(H,23,24,25)
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50439333
PNG
(CHEMBL2419762)
Show SMILES C1COc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2OC1
Show InChI InChI=1S/C23H19N3O2/c1-2-6-16(7-3-1)17-8-4-9-18(12-17)26-23-19-13-21-22(28-11-5-10-27-21)14-20(19)24-15-25-23/h1-4,6-9,12-15H,5,10-11H2,(H,24,25,26)
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n/an/a 645n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50051065
PNG
(CHEMBL3318073)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1nc(Nc2ccc(C)cc2)nc1N
Show InChI InChI=1S/C19H21N5O4/c1-11-5-7-13(8-6-11)21-19-22-18(20)24(23-19)17(25)12-9-14(26-2)16(28-4)15(10-12)27-3/h5-10H,1-4H3,(H3,20,21,22,23)
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n/an/a 750n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization by turbidimetry


J Med Chem 57: 6795-808 (2014)


Article DOI: 10.1021/jm5008193
BindingDB Entry DOI: 10.7270/Q26111Z5
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly after 20 mins incubation by spectrophotometric analysis


J Med Chem 58: 3209-22 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00155
BindingDB Entry DOI: 10.7270/Q2QV3P6V
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50084938
PNG
(CHEMBL3427378)
Show SMILES COC(=O)c1oc2cc(OC)ccc2c1Nc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H21NO7/c1-23-12-6-7-13-14(10-12)28-19(20(22)27-5)17(13)21-11-8-15(24-2)18(26-4)16(9-11)25-3/h6-10,21H,1-5H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly after 20 mins incubation by spectrophotometric analysis


J Med Chem 58: 3209-22 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00155
BindingDB Entry DOI: 10.7270/Q2QV3P6V
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization by turbidimetry


J Med Chem 57: 6795-808 (2014)


Article DOI: 10.1021/jm5008193
BindingDB Entry DOI: 10.7270/Q26111Z5
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50051067
PNG
(CHEMBL3318075)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1nc(Nc2ccc(C)c(C)c2)nc1N
Show InChI InChI=1S/C20H23N5O4/c1-11-6-7-14(8-12(11)2)22-20-23-19(21)25(24-20)18(26)13-9-15(27-3)17(29-5)16(10-13)28-4/h6-10H,1-5H3,(H3,21,22,23,24)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization by turbidimetry


J Med Chem 57: 6795-808 (2014)


Article DOI: 10.1021/jm5008193
BindingDB Entry DOI: 10.7270/Q26111Z5
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50051068
PNG
(CHEMBL3318076)
Show SMILES CCc1ccc(Nc2nc(N)n(n2)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C20H23N5O4/c1-5-12-6-8-14(9-7-12)22-20-23-19(21)25(24-20)18(26)13-10-15(27-2)17(29-4)16(11-13)28-3/h6-11H,5H2,1-4H3,(H3,21,22,23,24)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization by turbidimetry


J Med Chem 57: 6795-808 (2014)


Article DOI: 10.1021/jm5008193
BindingDB Entry DOI: 10.7270/Q26111Z5
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50084939
PNG
(CHEMBL3427379)
Show SMILES CCOC(=O)c1oc2cc(OC)ccc2c1Nc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C21H23NO7/c1-6-28-21(23)20-18(14-8-7-13(24-2)11-15(14)29-20)22-12-9-16(25-3)19(27-5)17(10-12)26-4/h7-11,22H,6H2,1-5H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly after 20 mins incubation by spectrophotometric analysis


J Med Chem 58: 3209-22 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00155
BindingDB Entry DOI: 10.7270/Q2QV3P6V
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50051066
PNG
(CHEMBL3318074)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1nc(Nc2cccc(C)c2)nc1N
Show InChI InChI=1S/C19H21N5O4/c1-11-6-5-7-13(8-11)21-19-22-18(20)24(23-19)17(25)12-9-14(26-2)16(28-4)15(10-12)27-3/h5-10H,1-4H3,(H3,20,21,22,23)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization by turbidimetry


J Med Chem 57: 6795-808 (2014)


Article DOI: 10.1021/jm5008193
BindingDB Entry DOI: 10.7270/Q26111Z5
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50051072
PNG
(CHEMBL3318084)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1nc(Nc2ccc3OCOc3c2)nc1N
Show InChI InChI=1S/C19H19N5O6/c1-26-14-6-10(7-15(27-2)16(14)28-3)17(25)24-18(20)22-19(23-24)21-11-4-5-12-13(8-11)30-9-29-12/h4-8H,9H2,1-3H3,(H3,20,21,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization by turbidimetry


J Med Chem 57: 6795-808 (2014)


Article DOI: 10.1021/jm5008193
BindingDB Entry DOI: 10.7270/Q26111Z5
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50051071
PNG
(CHEMBL3318080)
Show SMILES COc1cccc(Nc2nc(N)n(n2)C(=O)c2cc(OC)c(OC)c(OC)c2)c1
Show InChI InChI=1S/C19H21N5O5/c1-26-13-7-5-6-12(10-13)21-19-22-18(20)24(23-19)17(25)11-8-14(27-2)16(29-4)15(9-11)28-3/h5-10H,1-4H3,(H3,20,21,22,23)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization by turbidimetry


J Med Chem 57: 6795-808 (2014)


Article DOI: 10.1021/jm5008193
BindingDB Entry DOI: 10.7270/Q26111Z5
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50051070
PNG
(CHEMBL3318079)
Show SMILES COc1ccc(Nc2nc(N)n(n2)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C19H21N5O5/c1-26-13-7-5-12(6-8-13)21-19-22-18(20)24(23-19)17(25)11-9-14(27-2)16(29-4)15(10-11)28-3/h5-10H,1-4H3,(H3,20,21,22,23)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization by turbidimetry


J Med Chem 57: 6795-808 (2014)


Article DOI: 10.1021/jm5008193
BindingDB Entry DOI: 10.7270/Q26111Z5
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50084941
PNG
(CHEMBL3427381)
Show SMILES CCOC(=O)c1oc2c(OC)cccc2c1Nc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C21H23NO7/c1-6-28-21(23)20-17(13-8-7-9-14(24-2)18(13)29-20)22-12-10-15(25-3)19(27-5)16(11-12)26-4/h7-11,22H,6H2,1-5H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly after 20 mins incubation by spectrophotometric analysis


J Med Chem 58: 3209-22 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00155
BindingDB Entry DOI: 10.7270/Q2QV3P6V
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50084937
PNG
(CHEMBL3427376)
Show SMILES COC(=O)c1oc2ccc(OC)cc2c1Nc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H21NO7/c1-23-12-6-7-14-13(10-12)17(19(28-14)20(22)27-5)21-11-8-15(24-2)18(26-4)16(9-11)25-3/h6-10,21H,1-5H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly after 20 mins incubation by spectrophotometric analysis


J Med Chem 58: 3209-22 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00155
BindingDB Entry DOI: 10.7270/Q2QV3P6V
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50084940
PNG
(CHEMBL3427380)
Show SMILES COC(=O)c1oc2c(OC)cccc2c1Nc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H21NO7/c1-23-13-8-6-7-12-16(19(20(22)27-5)28-17(12)13)21-11-9-14(24-2)18(26-4)15(10-11)25-3/h6-10,21H,1-5H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assembly after 20 mins incubation by spectrophotometric analysis


J Med Chem 58: 3209-22 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00155
BindingDB Entry DOI: 10.7270/Q2QV3P6V
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analys...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50001839
PNG
(CHEMBL428647 | PACLITAXEL | taxol)
Show SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:4.3,28.30,26.26,10.10,22.23,30.33,wD:23.37,8.45,44.49,46.51,12.12,c:5,(23.85,-5.1,;25.19,-4.32,;25.18,-2.78,;26.52,-5.08,;26.53,-6.61,;23.91,-8.14,;22.57,-8.89,;21.25,-8.11,;22.55,-10.43,;23.89,-11.22,;25.21,-10.45,;25.2,-11.99,;26.54,-11.23,;26.53,-12.77,;25.19,-13.53,;23.87,-12.75,;25.19,-15.05,;23.85,-15.82,;23.84,-17.36,;25.17,-18.14,;26.51,-17.37,;26.52,-15.82,;27.88,-10.47,;29.2,-11.23,;29.96,-12.57,;31.31,-11.81,;30.55,-10.47,;30.55,-8.91,;29.2,-8.13,;30.52,-7.35,;27.88,-8.91,;26.78,-10,;27.87,-7.37,;29.19,-6.59,;28.1,-12.3,;28.1,-13.84,;29.43,-14.62,;26.76,-14.61,;25.23,-8.91,;25.98,-7.57,;26.76,-8.91,;21.21,-11.18,;19.89,-10.4,;19.91,-8.87,;18.55,-11.16,;18.54,-12.7,;17.22,-10.38,;17.24,-8.84,;15.92,-8.06,;14.57,-8.82,;15.93,-6.52,;17.27,-5.78,;17.28,-4.24,;15.95,-3.46,;14.61,-4.23,;14.6,-5.76,;15.89,-11.14,;14.57,-10.36,;13.23,-11.11,;13.21,-12.65,;14.56,-13.43,;15.89,-12.67,)|
Show InChI InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analys...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50001839
PNG
(CHEMBL428647 | PACLITAXEL | taxol)
Show SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:4.3,28.30,26.26,10.10,22.23,30.33,wD:23.37,8.45,44.49,46.51,12.12,c:5,(23.85,-5.1,;25.19,-4.32,;25.18,-2.78,;26.52,-5.08,;26.53,-6.61,;23.91,-8.14,;22.57,-8.89,;21.25,-8.11,;22.55,-10.43,;23.89,-11.22,;25.21,-10.45,;25.2,-11.99,;26.54,-11.23,;26.53,-12.77,;25.19,-13.53,;23.87,-12.75,;25.19,-15.05,;23.85,-15.82,;23.84,-17.36,;25.17,-18.14,;26.51,-17.37,;26.52,-15.82,;27.88,-10.47,;29.2,-11.23,;29.96,-12.57,;31.31,-11.81,;30.55,-10.47,;30.55,-8.91,;29.2,-8.13,;30.52,-7.35,;27.88,-8.91,;26.78,-10,;27.87,-7.37,;29.19,-6.59,;28.1,-12.3,;28.1,-13.84,;29.43,-14.62,;26.76,-14.61,;25.23,-8.91,;25.98,-7.57,;26.76,-8.91,;21.21,-11.18,;19.89,-10.4,;19.91,-8.87,;18.55,-11.16,;18.54,-12.7,;17.22,-10.38,;17.24,-8.84,;15.92,-8.06,;14.57,-8.82,;15.93,-6.52,;17.27,-5.78,;17.28,-4.24,;15.95,-3.46,;14.61,-4.23,;14.6,-5.76,;15.89,-11.14,;14.57,-10.36,;13.23,-11.11,;13.21,-12.65,;14.56,-13.43,;15.89,-12.67,)|
Show InChI InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50021701
PNG
(CHEMBL3297954)
Show SMILES Cl.C1COc2cc3c(Nc4cccc(c4)-c4ccco4)ncnc3cc2O1
Show InChI InChI=1S/C20H15N3O3.ClH/c1-3-13(17-5-2-6-24-17)9-14(4-1)23-20-15-10-18-19(26-8-7-25-18)11-16(15)21-12-22-20;/h1-6,9-12H,7-8H2,(H,21,22,23);1H
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50021702
PNG
(CHEMBL3297955)
Show SMILES Cl.C1COc2cc3c(Nc4cccc(c4)-c4cccs4)ncnc3cc2O1
Show InChI InChI=1S/C20H15N3O2S.ClH/c1-3-13(19-5-2-8-26-19)9-14(4-1)23-20-15-10-17-18(25-7-6-24-17)11-16(15)21-12-22-20;/h1-5,8-12H,6-7H2,(H,21,22,23);1H
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50021703
PNG
(CHEMBL3297956)
Show SMILES Cl.C1COc2cc3c(Nc4cccc(c4)-c4ccccn4)ncnc3cc2O1
Show InChI InChI=1S/C21H16N4O2.ClH/c1-2-7-22-17(6-1)14-4-3-5-15(10-14)25-21-16-11-19-20(27-9-8-26-19)12-18(16)23-13-24-21;/h1-7,10-13H,8-9H2,(H,23,24,25);1H
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50021704
PNG
(CHEMBL3297957)
Show SMILES C1COc2cc3c(Nc4nccc(n4)-c4ccccc4)ncnc3cc2O1
Show InChI InChI=1S/C20H15N5O2/c1-2-4-13(5-3-1)15-6-7-21-20(24-15)25-19-14-10-17-18(27-9-8-26-17)11-16(14)22-12-23-19/h1-7,10-12H,8-9H2,(H,21,22,23,24,25)
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50021705
PNG
(CHEMBL3297958)
Show SMILES C1COc2cc3c(Nc4nc(cs4)-c4ccccc4)ncnc3cc2O1
Show InChI InChI=1S/C19H14N4O2S/c1-2-4-12(5-3-1)15-10-26-19(22-15)23-18-13-8-16-17(25-7-6-24-16)9-14(13)20-11-21-18/h1-5,8-11H,6-7H2,(H,20,21,22,23)
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50021706
PNG
(CHEMBL3297959)
Show SMILES Cl.C1COc2cc3c(Nc4cccc(c4)-c4ccc[nH]4)ncnc3cc2O1
Show InChI InChI=1S/C20H16N4O2.ClH/c1-3-13(16-5-2-6-21-16)9-14(4-1)24-20-15-10-18-19(26-8-7-25-18)11-17(15)22-12-23-20;/h1-6,9-12,21H,7-8H2,(H,22,23,24);1H
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50428420
PNG
(CHEMBL2333991)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)-c3ccccc3)c2cc1OC
Show InChI InChI=1S/C22H19N3O2/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,23,24,25)
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50001839
PNG
(CHEMBL428647 | PACLITAXEL | taxol)
Show SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:4.3,28.30,26.26,10.10,22.23,30.33,wD:23.37,8.45,44.49,46.51,12.12,c:5,(23.85,-5.1,;25.19,-4.32,;25.18,-2.78,;26.52,-5.08,;26.53,-6.61,;23.91,-8.14,;22.57,-8.89,;21.25,-8.11,;22.55,-10.43,;23.89,-11.22,;25.21,-10.45,;25.2,-11.99,;26.54,-11.23,;26.53,-12.77,;25.19,-13.53,;23.87,-12.75,;25.19,-15.05,;23.85,-15.82,;23.84,-17.36,;25.17,-18.14,;26.51,-17.37,;26.52,-15.82,;27.88,-10.47,;29.2,-11.23,;29.96,-12.57,;31.31,-11.81,;30.55,-10.47,;30.55,-8.91,;29.2,-8.13,;30.52,-7.35,;27.88,-8.91,;26.78,-10,;27.87,-7.37,;29.19,-6.59,;28.1,-12.3,;28.1,-13.84,;29.43,-14.62,;26.76,-14.61,;25.23,-8.91,;25.98,-7.57,;26.76,-8.91,;21.21,-11.18,;19.89,-10.4,;19.91,-8.87,;18.55,-11.16,;18.54,-12.7,;17.22,-10.38,;17.24,-8.84,;15.92,-8.06,;14.57,-8.82,;15.93,-6.52,;17.27,-5.78,;17.28,-4.24,;15.95,-3.46,;14.61,-4.23,;14.6,-5.76,;15.89,-11.14,;14.57,-10.36,;13.23,-11.11,;13.21,-12.65,;14.56,-13.43,;15.89,-12.67,)|
Show InChI InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50021701
PNG
(CHEMBL3297954)
Show SMILES Cl.C1COc2cc3c(Nc4cccc(c4)-c4ccco4)ncnc3cc2O1
Show InChI InChI=1S/C20H15N3O3.ClH/c1-3-13(17-5-2-6-24-17)9-14(4-1)23-20-15-10-18-19(26-8-7-25-18)11-16(15)21-12-22-20;/h1-6,9-12H,7-8H2,(H,21,22,23);1H
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50021702
PNG
(CHEMBL3297955)
Show SMILES Cl.C1COc2cc3c(Nc4cccc(c4)-c4cccs4)ncnc3cc2O1
Show InChI InChI=1S/C20H15N3O2S.ClH/c1-3-13(19-5-2-8-26-19)9-14(4-1)23-20-15-10-17-18(25-7-6-24-17)11-16(15)21-12-22-20;/h1-5,8-12H,6-7H2,(H,21,22,23);1H
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50021703
PNG
(CHEMBL3297956)
Show SMILES Cl.C1COc2cc3c(Nc4cccc(c4)-c4ccccn4)ncnc3cc2O1
Show InChI InChI=1S/C21H16N4O2.ClH/c1-2-7-22-17(6-1)14-4-3-5-15(10-14)25-21-16-11-19-20(27-9-8-26-19)12-18(16)23-13-24-21;/h1-7,10-13H,8-9H2,(H,23,24,25);1H
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50021704
PNG
(CHEMBL3297957)
Show SMILES C1COc2cc3c(Nc4nccc(n4)-c4ccccc4)ncnc3cc2O1
Show InChI InChI=1S/C20H15N5O2/c1-2-4-13(5-3-1)15-6-7-21-20(24-15)25-19-14-10-17-18(27-9-8-26-17)11-16(14)22-12-23-19/h1-7,10-12H,8-9H2,(H,21,22,23,24,25)
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Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
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