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Compile Data Set for Download or QSAR

Found 91 hits Enz. Inhib. hit(s) with all data for entry = 50003214   
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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50015640
PNG
(GALUNISERTIB | LY-2157299)
Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(cc12)C(N)=O |(13.61,.14,;12.84,-1.19,;13.61,-2.53,;12.84,-3.86,;11.3,-3.86,;10.53,-2.53,;11.3,-1.19,;8.99,-2.53,;8.08,-1.28,;6.62,-1.76,;5.15,-1.28,;4.25,-2.53,;5.15,-3.77,;6.62,-3.3,;8.08,-3.77,;8.56,-5.24,;10.06,-5.56,;10.54,-7.02,;9.51,-8.17,;8,-7.85,;6.97,-8.99,;5.47,-8.67,;4.99,-7.21,;6.02,-6.06,;7.53,-6.38,;3.48,-6.89,;3.01,-5.42,;2.45,-8.03,)|
Show InChI InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)
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n/an/a 51n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468220
PNG
(CHEMBL4277021)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H23N3O/c1-13-6-5-7-17(22-13)19-18(15-8-10-16(25)11-9-15)20-14(2)21(3,4)12-24(20)23-19/h5-11,14,25H,12H2,1-4H3
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468197
PNG
(CHEMBL4285400)
Show SMILES C[C@H]1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C21H23N3O/c1-13-6-5-7-17(22-13)19-18(15-8-10-16(25)11-9-15)20-14(2)21(3,4)12-24(20)23-19/h5-11,14,25H,12H2,1-4H3/t14-/m0/s1
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468203
PNG
(CHEMBL4287654)
Show SMILES CCc1cccc(n1)-c1nn2CC(C)(C)C(C)c2c1-c1ccc(O)cc1
Show InChI InChI=1S/C22H25N3O/c1-5-16-7-6-8-18(23-16)20-19(15-9-11-17(26)12-10-15)21-14(2)22(3,4)13-25(21)24-20/h6-12,14,26H,5,13H2,1-4H3
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468207
PNG
(CHEMBL4288745)
Show SMILES CCc1cccc(n1)-c1nn2CC(C)(C)[C@@H](C)c2c1-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C22H25N3O/c1-5-16-7-6-8-18(23-16)20-19(15-9-11-17(26)12-10-15)21-14(2)22(3,4)13-25(21)24-20/h6-12,14,26H,5,13H2,1-4H3/t14-/m0/s1
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468201
PNG
(CHEMBL4292491)
Show SMILES Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C25H26N6O2S/c1-16-5-4-6-20(28-16)24-23(21-14-25(2,3)15-31(21)30-24)17-11-12-27-22(13-17)29-18-7-9-19(10-8-18)34(26,32)33/h4-13H,14-15H2,1-3H3,(H,27,29)(H2,26,32,33)
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468206
PNG
(CHEMBL4291675)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C26H28N6O2S/c1-16-6-5-7-21(29-16)24-23(25-17(2)26(3,4)15-32(25)31-24)18-12-13-28-22(14-18)30-19-8-10-20(11-9-19)35(27,33)34/h5-14,17H,15H2,1-4H3,(H,28,30)(H2,27,33,34)
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468204
PNG
(CHEMBL4289487)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1cccc(C)c1C#N)-c1ccncc1
Show InChI InChI=1S/C22H22N4/c1-14-6-5-7-17(18(14)12-23)20-19(16-8-10-24-11-9-16)21-15(2)22(3,4)13-26(21)25-20/h5-11,15H,13H2,1-4H3
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468218
PNG
(CHEMBL4279935)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccncc1
Show InChI InChI=1S/C20H22N4/c1-13-6-5-7-16(22-13)18-17(15-8-10-21-11-9-15)19-14(2)20(3,4)12-24(19)23-18/h5-11,14H,12H2,1-4H3
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50151347
PNG
(2-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-n...)
Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1
Show InChI InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)
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n/an/a 181n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468213
PNG
(CHEMBL4281030)
Show SMILES CCc1cccc(n1)-c1nn2CC(C)(C)C(C)c2c1-c1ccncc1
Show InChI InChI=1S/C21H24N4/c1-5-16-7-6-8-17(23-16)19-18(15-9-11-22-12-10-15)20-14(2)21(3,4)13-25(20)24-19/h6-12,14H,5,13H2,1-4H3
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468215
PNG
(CHEMBL4277446)
Show SMILES C[C@@H]1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C21H23N3O/c1-13-6-5-7-17(22-13)19-18(15-8-10-16(25)11-9-15)20-14(2)21(3,4)12-24(20)23-19/h5-11,14,25H,12H2,1-4H3/t14-/m1/s1
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468202
PNG
(CHEMBL4279172)
Show SMILES CCc1cccc(n1)-c1nn2CC(C)(C)C(C)c2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C27H30N6O2S/c1-5-19-7-6-8-22(30-19)25-24(26-17(2)27(3,4)16-33(26)32-25)18-13-14-29-23(15-18)31-20-9-11-21(12-10-20)36(28,34)35/h6-15,17H,5,16H2,1-4H3,(H,29,31)(H2,28,34,35)
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n/an/a 229n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468196
PNG
(CHEMBL4291439)
Show SMILES Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccc(O)cc1
Show InChI InChI=1S/C20H21N3O/c1-13-5-4-6-16(21-13)19-18(14-7-9-15(24)10-8-14)17-11-20(2,3)12-23(17)22-19/h4-10,24H,11-12H2,1-3H3
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468195
PNG
(CHEMBL4283308)
Show SMILES CCc1cccc(n1)-c1nn2CC(C)(C)[C@H](C)c2c1-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C22H25N3O/c1-5-16-7-6-8-18(23-16)20-19(15-9-11-17(26)12-10-15)21-14(2)22(3,4)13-25(21)24-20/h6-12,14,26H,5,13H2,1-4H3/t14-/m1/s1
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468208
PNG
(CHEMBL4278812)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1cccc(C)c1C#N)-c1ccc(O)cc1
Show InChI InChI=1S/C23H23N3O/c1-14-6-5-7-18(19(14)12-24)21-20(16-8-10-17(27)11-9-16)22-15(2)23(3,4)13-26(22)25-21/h5-11,15,27H,13H2,1-4H3
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468217
PNG
(CHEMBL4276896)
Show SMILES Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccncc1
Show InChI InChI=1S/C19H20N4/c1-13-5-4-6-15(21-13)18-17(14-7-9-20-10-8-14)16-11-19(2,3)12-23(16)22-18/h4-10H,11-12H2,1-3H3
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468214
PNG
(CHEMBL4284434)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccnc(Cl)c1
Show InChI InChI=1S/C20H21ClN4/c1-12-6-5-7-15(23-12)18-17(14-8-9-22-16(21)10-14)19-13(2)20(3,4)11-25(19)24-18/h5-10,13H,11H2,1-4H3
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468193
PNG
(CHEMBL4287843)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccnc(C)c1
Show InChI InChI=1S/C21H24N4/c1-13-7-6-8-17(23-13)19-18(16-9-10-22-14(2)11-16)20-15(3)21(4,5)12-25(20)24-19/h6-11,15H,12H2,1-5H3
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50468206
PNG
(CHEMBL4291675)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C26H28N6O2S/c1-16-6-5-7-21(29-16)24-23(25-17(2)26(3,4)15-32(25)31-24)18-12-13-28-22(14-18)30-19-8-10-20(11-9-19)35(27,33)34/h5-14,17H,15H2,1-4H3,(H,28,30)(H2,27,33,34)
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n/an/a 550n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468219
PNG
(CHEMBL4292170)
Show SMILES COc1ccc(cc1)-c1c(nn2CC(C)(C)C(C)c12)-c1cccc(C)n1
Show InChI InChI=1S/C22H25N3O/c1-14-7-6-8-18(23-14)20-19(16-9-11-17(26-5)12-10-16)21-15(2)22(3,4)13-25(21)24-20/h6-12,15H,13H2,1-5H3
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n/an/a 612n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468221
PNG
(CHEMBL4292878)
Show SMILES COCC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccncc1
Show InChI InChI=1S/C21H24N4O/c1-14-6-5-7-17(23-14)19-18(15-8-10-22-11-9-15)20-16(12-26-4)21(2,3)13-25(20)24-19/h5-11,16H,12-13H2,1-4H3
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n/an/a 743n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468199
PNG
(CHEMBL4284266)
Show SMILES CCc1cccc(n1)-c1nn2CC(C)(C)C(C)c2c1-c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O/c1-6-17-8-7-9-19(24-17)21-20(16-10-12-18(27-5)13-11-16)22-15(2)23(3,4)14-26(22)25-21/h7-13,15H,6,14H2,1-5H3
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n/an/a 805n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468211
PNG
(CHEMBL4284609)
Show SMILES Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccnc(Cl)c1
Show InChI InChI=1S/C19H19ClN4/c1-12-5-4-6-14(22-12)18-17(13-7-8-21-16(20)9-13)15-10-19(2,3)11-24(15)23-18/h4-9H,10-11H2,1-3H3
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n/an/a 1.23E+3n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468194
PNG
(CHEMBL4287261)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1ccccc1C#N)-c1ccncc1
Show InChI InChI=1S/C21H20N4/c1-14-20-18(15-8-10-23-11-9-15)19(24-25(20)13-21(14,2)3)17-7-5-4-6-16(17)12-22/h4-11,14H,13H2,1-3H3
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n/an/a 1.29E+3n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468200
PNG
(CHEMBL4282287)
Show SMILES Cc1cccc(n1)-c1nn2CC(C)(C)C(CO)c2c1-c1ccncc1
Show InChI InChI=1S/C20H22N4O/c1-13-5-4-6-16(22-13)18-17(14-7-9-21-10-8-14)19-15(11-25)20(2,3)12-24(19)23-18/h4-10,15,25H,11-12H2,1-3H3
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n/an/a 1.41E+3n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468209
PNG
(CHEMBL4285692)
Show SMILES CC1(C)Cc2c(c(nn2C1)-c1ccccn1)-c1ccncc1
Show InChI InChI=1S/C18H18N4/c1-18(2)11-15-16(13-6-9-19-10-7-13)17(21-22(15)12-18)14-5-3-4-8-20-14/h3-10H,11-12H2,1-2H3
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n/an/a 1.94E+3n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468210
PNG
(CHEMBL4281195)
Show SMILES CC1(C)Cc2c(c(nn2C1)-c1ccccn1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H19N3O/c1-19(2)11-16-17(13-6-8-14(23)9-7-13)18(21-22(16)12-19)15-5-3-4-10-20-15/h3-10,23H,11-12H2,1-2H3
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n/an/a 1.99E+3n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468212
PNG
(CHEMBL4294411)
Show SMILES CCOC(=O)c1ccc(cc1)-c1c(nn2CC(C)(C)C(C)c12)-c1cccc(C)n1
Show InChI InChI=1S/C24H27N3O2/c1-6-29-23(28)18-12-10-17(11-13-18)20-21(19-9-7-8-15(2)25-19)26-27-14-24(4,5)16(3)22(20)27/h7-13,16H,6,14H2,1-5H3
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n/an/a 2.01E+3n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50468201
PNG
(CHEMBL4292491)
Show SMILES Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C25H26N6O2S/c1-16-5-4-6-20(28-16)24-23(21-14-25(2,3)15-31(21)30-24)17-11-12-27-22(13-17)29-18-7-9-19(10-8-18)34(26,32)33/h4-13H,14-15H2,1-3H3,(H,27,29)(H2,26,32,33)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468205
PNG
(CHEMBL4277755)
Show SMILES CC1(C)Cc2c(c(nn2C1)-c1ccccc1C#N)-c1ccncc1
Show InChI InChI=1S/C20H18N4/c1-20(2)11-17-18(14-7-9-22-10-8-14)19(23-24(17)13-20)16-6-4-3-5-15(16)12-21/h3-10H,11,13H2,1-2H3
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n/an/a 2.52E+3n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468198
PNG
(CHEMBL4287412)
Show SMILES CCc1cccc(n1)-c1nn2CC(C)(C)C(C)c2c1-c1ccnc(Cl)c1
Show InChI InChI=1S/C21H23ClN4/c1-5-15-7-6-8-16(24-15)19-18(14-9-10-23-17(22)11-14)20-13(2)21(3,4)12-26(20)25-19/h6-11,13H,5,12H2,1-4H3
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n/an/a 2.75E+3n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50468216
PNG
(CHEMBL4279331)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1ccccc1C#N)-c1ccc(O)cc1
Show InChI InChI=1S/C22H21N3O/c1-14-21-19(15-8-10-17(26)11-9-15)20(24-25(21)13-22(14,2)3)18-7-5-4-6-16(18)12-23/h4-11,14,26H,13H2,1-3H3
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n/an/a 5.19E+3n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50468204
PNG
(CHEMBL4289487)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1cccc(C)c1C#N)-c1ccncc1
Show InChI InChI=1S/C22H22N4/c1-14-6-5-7-17(18(14)12-23)20-19(16-8-10-24-11-9-16)21-15(2)22(3,4)13-26(21)25-20/h5-11,15H,13H2,1-4H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50468202
PNG
(CHEMBL4279172)
Show SMILES CCc1cccc(n1)-c1nn2CC(C)(C)C(C)c2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C27H30N6O2S/c1-5-19-7-6-8-22(30-19)25-24(26-17(2)27(3,4)16-33(26)32-25)18-13-14-29-23(15-18)31-20-9-11-21(12-10-20)36(28,34)35/h6-15,17H,5,16H2,1-4H3,(H,29,31)(H2,28,34,35)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50468194
PNG
(CHEMBL4287261)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1ccccc1C#N)-c1ccncc1
Show InChI InChI=1S/C21H20N4/c1-14-20-18(15-8-10-23-11-9-15)19(24-25(20)13-21(14,2)3)17-7-5-4-6-16(17)12-22/h4-11,14H,13H2,1-3H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50468206
PNG
(CHEMBL4291675)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C26H28N6O2S/c1-16-6-5-7-21(29-16)24-23(25-17(2)26(3,4)15-32(25)31-24)18-12-13-28-22(14-18)30-19-8-10-20(11-9-19)35(27,33)34/h5-14,17H,15H2,1-4H3,(H,28,30)(H2,27,33,34)
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin E expressed in Sf9 insect cells using histone H1 as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50468208
PNG
(CHEMBL4278812)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1cccc(C)c1C#N)-c1ccc(O)cc1
Show InChI InChI=1S/C23H23N3O/c1-14-6-5-7-18(19(14)12-24)21-20(16-8-10-17(27)11-9-16)22-15(2)23(3,4)13-26(22)25-21/h5-11,15,27H,13H2,1-4H3
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n/an/a>1.20E+4n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50468208
PNG
(CHEMBL4278812)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1cccc(C)c1C#N)-c1ccc(O)cc1
Show InChI InChI=1S/C23H23N3O/c1-14-6-5-7-18(19(14)12-24)21-20(16-8-10-17(27)11-9-16)22-15(2)23(3,4)13-26(22)25-21/h5-11,15,27H,13H2,1-4H3
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin E expressed in Sf9 insect cells using histone H1 as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50468216
PNG
(CHEMBL4279331)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1ccccc1C#N)-c1ccc(O)cc1
Show InChI InChI=1S/C22H21N3O/c1-14-21-19(15-8-10-17(26)11-9-15)20(24-25(21)13-22(14,2)3)18-7-5-4-6-16(18)12-23/h4-11,14,26H,13H2,1-3H3
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n/an/a>1.20E+4n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50468216
PNG
(CHEMBL4279331)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1ccccc1C#N)-c1ccc(O)cc1
Show InChI InChI=1S/C22H21N3O/c1-14-21-19(15-8-10-17(26)11-9-15)20(24-25(21)13-22(14,2)3)18-7-5-4-6-16(18)12-23/h4-11,14,26H,13H2,1-3H3
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin E expressed in Sf9 insect cells using histone H1 as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50468205
PNG
(CHEMBL4277755)
Show SMILES CC1(C)Cc2c(c(nn2C1)-c1ccccc1C#N)-c1ccncc1
Show InChI InChI=1S/C20H18N4/c1-20(2)11-17-18(14-7-9-22-10-8-14)19(23-24(17)13-20)16-6-4-3-5-15(16)12-21/h3-10H,11,13H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50468196
PNG
(CHEMBL4291439)
Show SMILES Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccc(O)cc1
Show InChI InChI=1S/C20H21N3O/c1-13-5-4-6-16(21-13)19-18(14-7-9-15(24)10-8-14)17-11-20(2,3)12-23(17)22-19/h4-10,24H,11-12H2,1-3H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50151347
PNG
(2-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-n...)
Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1
Show InChI InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50468218
PNG
(CHEMBL4279935)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccncc1
Show InChI InChI=1S/C20H22N4/c1-13-6-5-7-16(22-13)18-17(15-8-10-21-11-9-15)19-14(2)20(3,4)12-24(19)23-18/h5-11,14H,12H2,1-4H3
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50468215
PNG
(CHEMBL4277446)
Show SMILES C[C@@H]1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C21H23N3O/c1-13-6-5-7-17(22-13)19-18(15-8-10-16(25)11-9-15)20-14(2)21(3,4)12-24(20)23-19/h5-11,14,25H,12H2,1-4H3/t14-/m1/s1
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin E expressed in Sf9 insect cells using histone H1 as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50468221
PNG
(CHEMBL4292878)
Show SMILES COCC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccncc1
Show InChI InChI=1S/C21H24N4O/c1-14-6-5-7-17(23-14)19-18(15-8-10-22-11-9-15)20-16(12-26-4)21(2,3)13-25(20)24-19/h5-11,16H,12-13H2,1-4H3
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50468193
PNG
(CHEMBL4287843)
Show SMILES CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccnc(C)c1
Show InChI InChI=1S/C21H24N4/c1-13-7-6-8-17(23-13)19-18(16-9-10-22-14(2)11-16)20-15(3)21(4,5)12-25(20)24-19/h6-11,15H,12H2,1-5H3
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Mus musculus)
BDBM50468217
PNG
(CHEMBL4276896)
Show SMILES Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccncc1
Show InChI InChI=1S/C19H20N4/c1-13-5-4-6-15(21-13)18-17(14-7-9-20-10-8-14)16-11-19(2,3)12-23(16)22-18/h4-10H,11-12H2,1-3H3
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n/an/a 2.60E+4n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50468202
PNG
(CHEMBL4279172)
Show SMILES CCc1cccc(n1)-c1nn2CC(C)(C)C(C)c2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C27H30N6O2S/c1-5-19-7-6-8-22(30-19)25-24(26-17(2)27(3,4)16-33(26)32-25)18-13-14-29-23(15-18)31-20-9-11-21(12-10-20)36(28,34)35/h6-15,17H,5,16H2,1-4H3,(H,29,31)(H2,28,34,35)
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n/an/a 3.70E+4n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin E expressed in Sf9 insect cells using histone H1 as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 127: 632-642 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.018
BindingDB Entry DOI: 10.7270/Q29Z97MF
More data for this
Ligand-Target Pair
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