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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50033198   
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
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50341234
PNG
(4-(chloromethyl)-N-(4-methyl-3-(4-(pyridin-3-yl)py...)
Show SMILES Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C24H20ClN5O/c1-16-4-9-20(28-23(31)18-7-5-17(14-25)6-8-18)13-22(16)30-24-27-12-10-21(29-24)19-3-2-11-26-15-19/h2-13,15H,14H2,1H3,(H,28,31)(H,27,29,30)
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n/an/a 139n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type PDGFRalpha assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation count...


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(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 160n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type PDGFRalpha assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation count...


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341234
PNG
(4-(chloromethyl)-N-(4-methyl-3-(4-(pyridin-3-yl)py...)
Show SMILES Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C24H20ClN5O/c1-16-4-9-20(28-23(31)18-7-5-17(14-25)6-8-18)13-22(16)30-24-27-12-10-21(29-24)19-3-2-11-26-15-19/h2-13,15H,14H2,1H3,(H,28,31)(H,27,29,30)
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n/an/a 245n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type KIT assessed as [gamma33P]ATP incorporation into polyGluTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(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 370n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type KIT assessed as [gamma33P]ATP incorporation into polyGluTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341235
PNG
(4-(aminomethyl)-N-(4-methyl-3-(4-(pyridin-3-yl)pyr...)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C24H22N6O/c1-16-4-9-20(28-23(31)18-7-5-17(14-25)6-8-18)13-22(16)30-24-27-12-10-21(29-24)19-3-2-11-26-15-19/h2-13,15H,14,25H2,1H3,(H,28,31)(H,27,29,30)
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n/an/a 788n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type KIT assessed as [gamma33P]ATP incorporation into polyGluTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341236
PNG
(4-((2-chloroacetamido)methyl)-N-(4-methyl-3-(4-(py...)
Show SMILES Cc1ccc(NC(=O)c2ccc(CNC(=O)CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C26H23ClN6O2/c1-17-4-9-21(31-25(35)19-7-5-18(6-8-19)15-30-24(34)14-27)13-23(17)33-26-29-12-10-22(32-26)20-3-2-11-28-16-20/h2-13,16H,14-15H2,1H3,(H,30,34)(H,31,35)(H,29,32,33)
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n/an/a 788n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type KIT assessed as [gamma33P]ATP incorporation into polyGluTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50341236
PNG
(4-((2-chloroacetamido)methyl)-N-(4-methyl-3-(4-(py...)
Show SMILES Cc1ccc(NC(=O)c2ccc(CNC(=O)CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C26H23ClN6O2/c1-17-4-9-21(31-25(35)19-7-5-18(6-8-19)15-30-24(34)14-27)13-23(17)33-26-29-12-10-22(32-26)20-3-2-11-28-16-20/h2-13,16H,14-15H2,1H3,(H,30,34)(H,31,35)(H,29,32,33)
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n/an/a 1.08E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type PDGFRalpha assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation count...


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50341235
PNG
(4-(aminomethyl)-N-(4-methyl-3-(4-(pyridin-3-yl)pyr...)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C24H22N6O/c1-16-4-9-20(28-23(31)18-7-5-17(14-25)6-8-18)13-22(16)30-24-27-12-10-21(29-24)19-3-2-11-26-15-19/h2-13,15H,14,25H2,1H3,(H,28,31)(H,27,29,30)
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n/an/a 1.54E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type PDGFRalpha assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation count...


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(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 2.70E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type ABL1 assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341238
PNG
(4-(methacrylamidomethyl)-N-(4-methyl-3-(4-(pyridin...)
Show SMILES CC(=C)C(=O)NCc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C28H26N6O2/c1-18(2)26(35)31-16-20-7-9-21(10-8-20)27(36)32-23-11-6-19(3)25(15-23)34-28-30-14-12-24(33-28)22-5-4-13-29-17-22/h4-15,17H,1,16H2,2-3H3,(H,31,35)(H,32,36)(H,30,33,34)
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n/an/a 2.74E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type KIT assessed as [gamma33P]ATP incorporation into polyGluTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50341238
PNG
(4-(methacrylamidomethyl)-N-(4-methyl-3-(4-(pyridin...)
Show SMILES CC(=C)C(=O)NCc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C28H26N6O2/c1-18(2)26(35)31-16-20-7-9-21(10-8-20)27(36)32-23-11-6-19(3)25(15-23)34-28-30-14-12-24(33-28)22-5-4-13-29-17-22/h4-15,17H,1,16H2,2-3H3,(H,31,35)(H,32,36)(H,30,33,34)
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n/an/a 4.11E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type PDGFRalpha assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation count...


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341237
PNG
(4-(but-2-enamidomethyl)-N-(4-methyl-3-(4-(pyridin-...)
Show SMILES C\C=C\C(=O)NCc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C28H26N6O2/c1-3-5-26(35)31-17-20-8-10-21(11-9-20)27(36)32-23-12-7-19(2)25(16-23)34-28-30-15-13-24(33-28)22-6-4-14-29-18-22/h3-16,18H,17H2,1-2H3,(H,31,35)(H,32,36)(H,30,33,34)/b5-3+
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n/an/a 4.71E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type KIT assessed as [gamma33P]ATP incorporation into polyGluTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50341237
PNG
(4-(but-2-enamidomethyl)-N-(4-methyl-3-(4-(pyridin-...)
Show SMILES C\C=C\C(=O)NCc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C28H26N6O2/c1-3-5-26(35)31-17-20-8-10-21(11-9-20)27(36)32-23-12-7-19(2)25(16-23)34-28-30-15-13-24(33-28)22-6-4-14-29-18-22/h3-16,18H,17H2,1-2H3,(H,31,35)(H,32,36)(H,30,33,34)/b5-3+
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n/an/a 4.89E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type PDGFRalpha assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation count...


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50341234
PNG
(4-(chloromethyl)-N-(4-methyl-3-(4-(pyridin-3-yl)py...)
Show SMILES Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C24H20ClN5O/c1-16-4-9-20(28-23(31)18-7-5-17(14-25)6-8-18)13-22(16)30-24-27-12-10-21(29-24)19-3-2-11-26-15-19/h2-13,15H,14H2,1H3,(H,28,31)(H,27,29,30)
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n/an/a 6.95E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type ABL1 assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50341237
PNG
(4-(but-2-enamidomethyl)-N-(4-methyl-3-(4-(pyridin-...)
Show SMILES C\C=C\C(=O)NCc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C28H26N6O2/c1-3-5-26(35)31-17-20-8-10-21(11-9-20)27(36)32-23-12-7-19(2)25(16-23)34-28-30-15-13-24(33-28)22-6-4-14-29-18-22/h3-16,18H,17H2,1-2H3,(H,31,35)(H,32,36)(H,30,33,34)/b5-3+
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n/an/a>2.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type ABL1 assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50341236
PNG
(4-((2-chloroacetamido)methyl)-N-(4-methyl-3-(4-(py...)
Show SMILES Cc1ccc(NC(=O)c2ccc(CNC(=O)CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C26H23ClN6O2/c1-17-4-9-21(31-25(35)19-7-5-18(6-8-19)15-30-24(34)14-27)13-23(17)33-26-29-12-10-22(32-26)20-3-2-11-28-16-20/h2-13,16H,14-15H2,1H3,(H,30,34)(H,31,35)(H,29,32,33)
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n/an/a>2.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type ABL1 assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50341235
PNG
(4-(aminomethyl)-N-(4-methyl-3-(4-(pyridin-3-yl)pyr...)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C24H22N6O/c1-16-4-9-20(28-23(31)18-7-5-17(14-25)6-8-18)13-22(16)30-24-27-12-10-21(29-24)19-3-2-11-26-15-19/h2-13,15H,14,25H2,1H3,(H,28,31)(H,27,29,30)
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n/an/a>2.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type ABL1 assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50341238
PNG
(4-(methacrylamidomethyl)-N-(4-methyl-3-(4-(pyridin...)
Show SMILES CC(=C)C(=O)NCc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C28H26N6O2/c1-18(2)26(35)31-16-20-7-9-21(10-8-20)27(36)32-23-11-6-19(3)25(15-23)34-28-30-14-12-24(33-28)22-5-4-13-29-17-22/h4-15,17H,1,16H2,2-3H3,(H,31,35)(H,32,36)(H,30,33,34)
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n/an/a>2.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human wild type ABL1 assessed as [gamma33P]ATP incorporation into polyAlaGluLsTyr after 60 mins by microplate scintillation counting


J Med Chem 54: 1347-55 (2011)


Article DOI: 10.1021/jm101396q
BindingDB Entry DOI: 10.7270/Q2NC61J5
More data for this
Ligand-Target Pair