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Compile Data Set for Download or QSAR

Found 424 hits for UniProtKB: P42684   
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 ABL2


(Homo sapiens (Human))		BDBM50020310
PNG
(CHEMBL3288854)
Show SMILES CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
Show InChI InChI=1S/C23H28FN5O2/c1-14-20(13-18-17-12-16(24)4-5-19(17)26-23(18)31)25-15(2)22(14)27-21(30)6-7-29-10-8-28(3)9-11-29/h4-5,12-13,25H,6-11H2,1-3H3,(H,26,31)(H,27,30)/b18-13-
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 180n/an/an/an/an/an/an/an/a



Qilu Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Binding affinity to ARG (unknown origin)

Eur J Med Chem 82: 139-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.051
BindingDB Entry DOI: 10.7270/Q2F1918D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM50331612
PNG
(CHEMBL1290072 | N-(4-methoxybenzyl)benzofuro[2,3-b...)
Show SMILES COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Show InChI InChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20-19-18(16)15-4-2-3-5-17(15)23-19/h2-11H,12H2,1H3,(H,20,21)
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of human ABL2

Bioorg Med Chem Lett 20: 6915-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.004
BindingDB Entry DOI: 10.7270/Q2GF0TQS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 0.5n/an/an/an/an/an/a



Center for Molecular Medicine of the Austrian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ABL2

Leukemia 23: 477-85 (2009)


Article DOI: 10.1038/leu.2008.334
BindingDB Entry DOI: 10.7270/Q22Z15R6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM6096
PNG
(3-quinolinecarbonitrile 24 | 4-[(2,4-Dichloro-5-me...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H30Cl2N4O3/c1-33-8-6-17(7-9-33)5-4-10-36-26-13-22-19(11-25(26)35-3)27(18(15-30)16-31-22)32-23-14-24(34-2)21(29)12-20(23)28/h11-14,16-17H,4-10H2,1-3H3,(H,31,32)
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n/an/a 0.780n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase

J Med Chem 47: 1599-601 (2004)


Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM50427749
PNG
(CHEMBL2324924)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4nccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-3-4-22(15-21(20)6-8-25-17-33-18-27-34-9-10-38(25)27)28(39)35-24-7-5-23(26(16-24)29(30,31)32)19-37-13-11-36(2)12-14-37/h3-5,7,9-10,15-18H,11-14,19H2,1-2H3,(H,35,39)
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n/an/a 1n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...

J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 1.10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase

J Med Chem 47: 1599-601 (2004)


Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM50427749
PNG
(CHEMBL2324924)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4nccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-3-4-22(15-21(20)6-8-25-17-33-18-27-34-9-10-38(25)27)28(39)35-24-7-5-23(26(16-24)29(30,31)32)19-37-13-11-36(2)12-14-37/h3-5,7,9-10,15-18H,11-14,19H2,1-2H3,(H,35,39)
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n/an/a 2n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...

J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM6095
PNG
(3-quinolinecarbonitrile 23 | 4-[(2,4-Dichloro-5-me...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O3/c1-32-7-4-16(5-8-32)6-9-35-25-12-21-18(10-24(25)34-3)26(17(14-29)15-30-21)31-22-13-23(33-2)20(28)11-19(22)27/h10-13,15-16H,4-9H2,1-3H3,(H,30,31)
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n/an/a 2.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase

J Med Chem 47: 1599-601 (2004)


Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM6094
PNG
(3-quinolinecarbonitrile 18 | 4-[(2,4-Dichloro-5-me...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl2N4O3/c1-31-6-4-15(5-7-31)14-34-24-10-20-17(8-23(24)33-3)25(16(12-28)13-29-20)30-21-11-22(32-2)19(27)9-18(21)26/h8-11,13,15H,4-7,14H2,1-3H3,(H,29,30)
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n/an/a 2.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase

J Med Chem 47: 1599-601 (2004)


Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM50427748
PNG
(CHEMBL2324925)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cnccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-31-24-16-30-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 3n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...

J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM6102
PNG
(4-[(2-Chloro-5-methoxyphenyl)amino]-6-methoxy-7-[(...)
Show SMILES COc1ccc(Cl)c(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c1
Show InChI InChI=1S/C25H27ClN4O3/c1-30-8-6-16(7-9-30)15-33-24-12-21-19(11-23(24)32-3)25(17(13-27)14-28-21)29-22-10-18(31-2)4-5-20(22)26/h4-5,10-12,14,16H,6-9,15H2,1-3H3,(H,28,29)
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n/an/a 3.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase

J Med Chem 47: 1599-601 (2004)


Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|
Show InChI InChI=1S/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant ARG (38 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radio...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2M90DC6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|
Show InChI InChI=1S/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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n/an/a 4n/an/an/an/an/an/a



Kalypsys, Inc.



Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...

Bioorg Med Chem Lett 17: 3562-9 (2007)


BindingDB Entry DOI: 10.7270/Q21C2065
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM6099
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCCN(C)C4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl2N4O3/c1-31-6-4-5-15(13-31)14-34-24-9-20-17(7-23(24)33-3)25(16(11-28)12-29-20)30-21-10-22(32-2)19(27)8-18(21)26/h7-10,12,15H,4-6,13-14H2,1-3H3,(H,29,30)
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n/an/a 4.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase

J Med Chem 47: 1599-601 (2004)


Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM50097942
PNG
(3-(4-Amino-7-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCC1
Show InChI InChI=1S/C16H16N4O/c17-15-14-13(10-3-1-6-12(21)7-10)8-20(11-4-2-5-11)16(14)19-9-18-15/h1,3,6-9,11,21H,2,4-5H2,(H2,17,18,19)
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n/an/a 5n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity

Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM50427747
PNG
(CHEMBL2324926)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cccnn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-10-12-37(13-11-35)17-18-5-6-19(14-22(18)26(27,28)29)32-25(39)33-23-15-20(36(2)34-23)7-8-21-16-30-24-4-3-9-31-38(21)24/h3-6,9,14-16H,10-13,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 6n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...

J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM50427742
PNG
(CHEMBL2324930)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3cccnn23)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-9-24(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)35-28(39)22-6-7-23(26(17-22)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 8n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...

J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM6105
PNG
(4-phenylamino-3-quinolinecarbonitrile 23 | 6-Metho...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(C)cc1C
Show InChI InChI=1S/C27H32N4O3/c1-17-10-18(2)24(32-4)12-22(17)30-27-20(14-28)15-29-23-13-26(25(33-5)11-21(23)27)34-16-19-6-8-31(3)9-7-19/h10-13,15,19H,6-9,16H2,1-5H3,(H,29,30)
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n/an/a 8.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase

J Med Chem 47: 1599-601 (2004)


Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM6103
PNG
(4-phenylamino-3-quinolinecarbonitrile 21 | 6-Metho...)
Show SMILES COc1ccc(C)c(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c1
Show InChI InChI=1S/C26H30N4O3/c1-17-5-6-20(31-3)11-22(17)29-26-19(14-27)15-28-23-13-25(24(32-4)12-21(23)26)33-16-18-7-9-30(2)10-8-18/h5-6,11-13,15,18H,7-10,16H2,1-4H3,(H,28,29)
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n/an/a 8.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase

J Med Chem 47: 1599-601 (2004)


Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM50097956
PNG
(3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)
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n/an/a 10n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity

Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM50427748
PNG
(CHEMBL2324925)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cnccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-31-24-16-30-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 10n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...

J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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 10.1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ABL2 using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay

Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM50427750
PNG
(CHEMBL2324923)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 11n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...

J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM50427745
PNG
(CHEMBL2324927)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5ccccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H27F3N8O/c1-35-11-13-37(14-12-35)18-19-6-7-20(15-23(19)27(28,29)30)32-26(39)33-24-16-21(36(2)34-24)8-9-22-17-31-25-5-3-4-10-38(22)25/h3-7,10,15-17H,11-14,18H2,1-2H3,(H2,32,33,34,39)
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n/an/a 12n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...

J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM6101
PNG
(3-quinolinecarbonitrile 20 | 4-phenylamino-3-quino...)
Show SMILES COc1cc2c(Nc3cc(OC)c(OC)c(OC)c3)c(cnc2cc1OCC1CCN(C)CC1)C#N
Show InChI InChI=1S/C27H32N4O5/c1-31-8-6-17(7-9-31)16-36-23-13-21-20(12-22(23)32-2)26(18(14-28)15-29-21)30-19-10-24(33-3)27(35-5)25(11-19)34-4/h10-13,15,17H,6-9,16H2,1-5H3,(H,29,30)
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase

J Med Chem 47: 1599-601 (2004)


Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM50427744
PNG
(CHEMBL2324928)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cccnc4)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C25H26F3N7O/c1-33-10-12-35(13-11-33)17-19-6-7-20(14-22(19)25(26,27)28)30-24(36)31-23-15-21(34(2)32-23)8-5-18-4-3-9-29-16-18/h3-4,6-7,9,14-16H,10-13,17H2,1-2H3,(H2,30,31,32,36)
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n/an/a 14n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...

J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM50427750
PNG
(CHEMBL2324923)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 15n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...

J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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 15.8n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human ABL2 using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay

Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM6100
PNG
(3-quinolinecarbonitrile 19 | 4-[(2,4-Dichloropheny...)
Show SMILES COc1cc2c(Nc3ccc(Cl)cc3Cl)c(cnc2cc1OCC1CCN(C)CC1)C#N
Show InChI InChI=1S/C24H24Cl2N4O2/c1-30-7-5-15(6-8-30)14-32-23-11-21-18(10-22(23)31-2)24(16(12-27)13-28-21)29-20-4-3-17(25)9-19(20)26/h3-4,9-11,13,15H,5-8,14H2,1-2H3,(H,28,29)
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase

J Med Chem 47: 1599-601 (2004)


Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM50427741
PNG
(CHEMBL2324931)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)cc1C#Cc1cnc2ccccn12
Show InChI InChI=1S/C31H30F3N5O2/c1-22-5-9-26(18-23(22)8-10-27-20-35-29-4-2-3-11-39(27)29)36-30(41)24-6-7-25(28(19-24)31(32,33)34)21-38-14-12-37(13-15-38)16-17-40/h2-7,9,11,18-20,40H,12-17,21H2,1H3,(H,36,41)
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n/an/a 18n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...

J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM50088900
PNG
(5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine ...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C18H14N4/c19-17-16-15(13-7-3-1-4-8-13)11-22(18(16)21-12-20-17)14-9-5-2-6-10-14/h1-12H,(H2,19,20,21)
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n/an/a 20n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of PDGF-receptor kinase

Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM612783
PNG
(US11725005, Compound 117)
Show SMILES CN(C)C(=O)c1cc([nH]n1)-c1cncc(c1)-c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)n1
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n/an/a 35n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2R215H9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM481113
PNG
(US10906896, Cpd 117)
Show SMILES CN(C)C(=O)c1cc(NC(=O)C2=NN=C(C2)c2cncc(c2)-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)[nH]n1 |c:13,t:11|
Show InChI InChI=1S/C39H41N13O3/c1-24-5-10-29(42-36(53)26-8-6-25(7-9-26)23-52-15-13-51(4)14-16-52)18-31(24)44-39-41-12-11-30(43-39)27-17-28(22-40-21-27)32-19-33(47-46-32)37(54)45-35-20-34(48-49-35)38(55)50(2)3/h5-12,17-18,20-22H,13-16,19,23H2,1-4H3,(H,42,53)(H,41,43,44)(H2,45,48,49,54)
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US Patent
n/an/a 35n/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...

US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM50427743
PNG
(CHEMBL2324929)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4ccc(N)nc4)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C25H27F3N8O/c1-34-9-11-36(12-10-34)16-18-5-6-19(13-21(18)25(26,27)28)31-24(37)32-23-14-20(35(2)33-23)7-3-17-4-8-22(29)30-15-17/h4-6,8,13-15H,9-12,16H2,1-2H3,(H2,29,30)(H2,31,32,33,37)
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n/an/a 36n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...

J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM6104
PNG
(4-[(2,4-Dimethylphenyl)amino]-6-methoxy-7-[(1-meth...)
Show SMILES COc1cc2c(Nc3ccc(C)cc3C)c(cnc2cc1OCC1CCN(C)CC1)C#N
Show InChI InChI=1S/C26H30N4O2/c1-17-5-6-22(18(2)11-17)29-26-20(14-27)15-28-23-13-25(24(31-4)12-21(23)26)32-16-19-7-9-30(3)10-8-19/h5-6,11-13,15,19H,7-10,16H2,1-4H3,(H,28,29)
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n/an/a 38n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase

J Med Chem 47: 1599-601 (2004)


Article DOI: 10.1021/jm0499458
BindingDB Entry DOI: 10.7270/Q2BP05HD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM612893
PNG
(US11725005, Compound 8300)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cnn(C)c3)c2)CC1
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n/an/a 39n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2R215H9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM481131
PNG
(US10906896, Cpd 8300 | US10906896, Cpd 832 | US117...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccn(C)n3)c2)CC1
Show InChI InChI=1S/C33H35N9O/c1-23-4-9-28(36-32(43)25-7-5-24(6-8-25)22-42-16-14-40(2)15-17-42)19-31(23)38-33-35-12-10-29(37-33)26-18-27(21-34-20-26)30-11-13-41(3)39-30/h4-13,18-21H,14-17,22H2,1-3H3,(H,36,43)(H,35,37,38)
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US Patent
n/an/a 39n/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...

US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM50427742
PNG
(CHEMBL2324930)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3cccnn23)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-9-24(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)35-28(39)22-6-7-23(26(17-22)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 39n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...

J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM50427740
PNG
(CHEMBL2324932)
Show SMILES Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)c(c2)C(F)(F)F)cc1C#Cc1cncnc1
Show InChI InChI=1S/C25H18F3N5O/c1-17-2-7-22(10-19(17)4-3-18-12-30-15-31-13-18)32-24(34)20-5-6-21(14-33-9-8-29-16-33)23(11-20)25(26,27)28/h2,5-13,15-16H,14H2,1H3,(H,32,34)
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n/an/a 40n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...

J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM50097947
PNG
(CHEMBL352801 | {3-[4-Amino-5-(3-methoxy-phenyl)-py...)
Show SMILES COc1cccc(c1)-c1cn(C2CC(CO)C2)c2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O2/c1-24-14-4-2-3-12(7-14)15-8-22(13-5-11(6-13)9-23)18-16(15)17(19)20-10-21-18/h2-4,7-8,10-11,13,23H,5-6,9H2,1H3,(H2,19,20,21)
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n/an/a 40n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity

Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM50097937
PNG
(3-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-2-1-3-5-11)9-21(17(15)20-10-19-16)12-6-7-13(22)8-12/h1-5,9-10,12-13,22H,6-8H2,(H2,18,19,20)
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n/an/a 40n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity

Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 40n/an/an/an/an/an/a



McGill University/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of Abl tyrosine kinase

Bioorg Med Chem Lett 13: 3297-300 (2003)


BindingDB Entry DOI: 10.7270/Q22B8XFQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM50427741
PNG
(CHEMBL2324931)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)cc1C#Cc1cnc2ccccn12
Show InChI InChI=1S/C31H30F3N5O2/c1-22-5-9-26(18-23(22)8-10-27-20-35-29-4-2-3-11-39(27)29)36-30(41)24-6-7-25(28(19-24)31(32,33)34)21-38-14-12-37(13-15-38)16-17-40/h2-7,9,11,18-20,40H,12-17,21H2,1H3,(H,36,41)
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n/an/a 41n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...

J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM612785
PNG
(US11725005, Compound 119)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cn[nH]c3C)c2)CC1
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n/an/a 44.7n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2R215H9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM481115
PNG
(US10906896, Cpd 119)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cn[nH]c3C)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C37H38N12O2/c1-23-4-9-29(41-35(50)26-7-5-25(6-8-26)22-49-14-12-48(3)13-15-49)17-31(23)44-37-39-11-10-30(43-37)27-16-28(20-38-19-27)32-18-33(47-46-32)36(51)42-34-21-40-45-24(34)2/h4-11,16-17,19-21H,12-15,18,22H2,1-3H3,(H,40,45)(H,41,50)(H,42,51)(H,39,43,44)
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US Patent
n/an/a 44.7n/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...

US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM50427747
PNG
(CHEMBL2324926)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cccnn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-10-12-37(13-11-35)17-18-5-6-19(14-22(18)26(27,28)29)32-25(39)33-23-15-20(36(2)34-23)7-8-21-16-30-24-4-3-9-31-38(21)24/h3-6,9,14-16H,10-13,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 47n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...

J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM50097945
PNG
(7-Cyclobutyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H18N4O/c1-22-13-7-2-4-11(8-13)14-9-21(12-5-3-6-12)17-15(14)16(18)19-10-20-17/h2,4,7-10,12H,3,5-6H2,1H3,(H2,18,19,20)
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n/an/a 50n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts

Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))		BDBM50088904
PNG
((3-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]p...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(CO)c2)c2ncnc(N)c12
Show InChI InChI=1S/C20H18N4O2/c1-26-16-7-3-5-14(9-16)17-10-24(15-6-2-4-13(8-15)11-25)20-18(17)19(21)22-12-23-20/h2-10,12,25H,11H2,1H3,(H2,21,22,23)
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n/an/a 50n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of non-receptor tyrosine kinase v-Abl

Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM481109
PNG
(US10906896, Cpd 113)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cc(C)n[nH]3)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C37H38N12O2/c1-23-4-9-29(40-35(50)26-7-5-25(6-8-26)22-49-14-12-48(3)13-15-49)18-31(23)42-37-39-11-10-30(41-37)27-17-28(21-38-20-27)32-19-33(46-45-32)36(51)43-34-16-24(2)44-47-34/h4-11,16-18,20-21H,12-15,19,22H2,1-3H3,(H,40,50)(H,39,41,42)(H2,43,44,47,51)
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n/an/a 50.1n/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...

US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))		BDBM612772
PNG
(US11725005, Compound 113)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cc(C)n[nH]3)c2)CC1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2R215H9
More data for this
Ligand-Target Pair
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