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Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for entry = 50016690   
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))
BDBM13911
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(O)=O
Show InChI InChI=1S/C23H20N6O2/c1-2-18-19(23(30)31)13-29-21(18)22(24-14-26-29)27-17-8-9-20-16(10-17)11-25-28(20)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H,30,31)(H,24,26,27)
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13911
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(O)=O
Show InChI InChI=1S/C23H20N6O2/c1-2-18-19(23(30)31)13-29-21(18)22(24-14-26-29)27-17-8-9-20-16(10-17)11-25-28(20)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H,30,31)(H,24,26,27)
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13921
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-N-[3-(...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C29H29N9O/c1-2-24-25(29(39)31-11-6-13-36-14-12-30-20-36)18-38-27(24)28(32-19-34-38)35-23-9-10-26-22(15-23)16-33-37(26)17-21-7-4-3-5-8-21/h3-5,7-10,12,14-16,18-20H,2,6,11,13,17H2,1H3,(H,31,39)(H,32,34,35)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13921
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-N-[3-(...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C29H29N9O/c1-2-24-25(29(39)31-11-6-13-36-14-12-30-20-36)18-38-27(24)28(32-19-34-38)35-23-9-10-26-22(15-23)16-33-37(26)17-21-7-4-3-5-8-21/h3-5,7-10,12,14-16,18-20H,2,6,11,13,17H2,1H3,(H,31,39)(H,32,34,35)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HER2 cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13923
PNG
(2-(1H-imidazol-1-yl)ethyl N-{4-[(1-benzyl-1H-indaz...)
Show SMILES CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C28H27N9O2/c1-2-23-24(34-28(38)39-13-12-35-11-10-29-19-35)17-37-26(23)27(30-18-32-37)33-22-8-9-25-21(14-22)15-31-36(25)16-20-6-4-3-5-7-20/h3-11,14-15,17-19H,2,12-13,16H2,1H3,(H,34,38)(H,30,32,33)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13911
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(O)=O
Show InChI InChI=1S/C23H20N6O2/c1-2-18-19(23(30)31)13-29-21(18)22(24-14-26-29)27-17-8-9-20-16(10-17)11-25-28(20)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H,30,31)(H,24,26,27)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13923
PNG
(2-(1H-imidazol-1-yl)ethyl N-{4-[(1-benzyl-1H-indaz...)
Show SMILES CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C28H27N9O2/c1-2-23-24(34-28(38)39-13-12-35-11-10-29-19-35)17-37-26(23)27(30-18-32-37)33-22-8-9-25-21(14-22)15-31-36(25)16-20-6-4-3-5-7-20/h3-11,14-15,17-19H,2,12-13,16H2,1H3,(H,34,38)(H,30,32,33)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13911
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(O)=O
Show InChI InChI=1S/C23H20N6O2/c1-2-18-19(23(30)31)13-29-21(18)22(24-14-26-29)27-17-8-9-20-16(10-17)11-25-28(20)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H,30,31)(H,24,26,27)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HER2 cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13923
PNG
(2-(1H-imidazol-1-yl)ethyl N-{4-[(1-benzyl-1H-indaz...)
Show SMILES CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C28H27N9O2/c1-2-23-24(34-28(38)39-13-12-35-11-10-29-19-35)17-37-26(23)27(30-18-32-37)33-22-8-9-25-21(14-22)15-31-36(25)16-20-6-4-3-5-7-20/h3-11,14-15,17-19H,2,12-13,16H2,1H3,(H,34,38)(H,30,32,33)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13921
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-N-[3-(...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C29H29N9O/c1-2-24-25(29(39)31-11-6-13-36-14-12-30-20-36)18-38-27(24)28(32-19-34-38)35-23-9-10-26-22(15-23)16-33-37(26)17-21-7-4-3-5-8-21/h3-5,7-10,12,14-16,18-20H,2,6,11,13,17H2,1H3,(H,31,39)(H,32,34,35)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13923
PNG
(2-(1H-imidazol-1-yl)ethyl N-{4-[(1-benzyl-1H-indaz...)
Show SMILES CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C28H27N9O2/c1-2-23-24(34-28(38)39-13-12-35-11-10-29-19-35)17-37-26(23)27(30-18-32-37)33-22-8-9-25-21(14-22)15-31-36(25)16-20-6-4-3-5-7-20/h3-11,14-15,17-19H,2,12-13,16H2,1H3,(H,34,38)(H,30,32,33)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HER2 cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13921
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-N-[3-(...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C29H29N9O/c1-2-24-25(29(39)31-11-6-13-36-14-12-30-20-36)18-38-27(24)28(32-19-34-38)35-23-9-10-26-22(15-23)16-33-37(26)17-21-7-4-3-5-8-21/h3-5,7-10,12,14-16,18-20H,2,6,11,13,17H2,1H3,(H,31,39)(H,32,34,35)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13902
PNG
(CHEMBL372112 | ethyl 5-ethyl-4-(1H-indazol-5-ylami...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4[nH]ncc4c3)c2c1CC
Show InChI InChI=1S/C18H18N6O2/c1-3-13-14(18(25)26-4-2)9-24-16(13)17(19-10-21-24)22-12-5-6-15-11(7-12)8-20-23-15/h5-10H,3-4H2,1-2H3,(H,20,23)(H,19,21,22)
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n/an/a 50n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13902
PNG
(CHEMBL372112 | ethyl 5-ethyl-4-(1H-indazol-5-ylami...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4[nH]ncc4c3)c2c1CC
Show InChI InChI=1S/C18H18N6O2/c1-3-13-14(18(25)26-4-2)9-24-16(13)17(19-10-21-24)22-12-5-6-15-11(7-12)8-20-23-15/h5-10H,3-4H2,1-2H3,(H,20,23)(H,19,21,22)
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n/an/a 50n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13901
PNG
(CHEMBL370934 | ethyl 4-[(3-bromophenyl)amino]-5-et...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3cccc(Br)c3)c2c1CC
Show InChI InChI=1S/C17H17BrN4O2/c1-3-13-14(17(23)24-4-2)9-22-15(13)16(19-10-20-22)21-12-7-5-6-11(18)8-12/h5-10H,3-4H2,1-2H3,(H,19,20,21)
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n/an/a 60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13901
PNG
(CHEMBL370934 | ethyl 4-[(3-bromophenyl)amino]-5-et...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3cccc(Br)c3)c2c1CC
Show InChI InChI=1S/C17H17BrN4O2/c1-3-13-14(17(23)24-4-2)9-22-15(13)16(19-10-20-22)21-12-7-5-6-11(18)8-12/h5-10H,3-4H2,1-2H3,(H,19,20,21)
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n/an/a 60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13913
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-N-meth...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)NC
Show InChI InChI=1S/C24H23N7O/c1-3-19-20(24(32)25-2)14-31-22(19)23(26-15-28-31)29-18-9-10-21-17(11-18)12-27-30(21)13-16-7-5-4-6-8-16/h4-12,14-15H,3,13H2,1-2H3,(H,25,32)(H,26,28,29)
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n/an/a 70n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13913
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-N-meth...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)NC
Show InChI InChI=1S/C24H23N7O/c1-3-19-20(24(32)25-2)14-31-22(19)23(26-15-28-31)29-18-9-10-21-17(11-18)12-27-30(21)13-16-7-5-4-6-8-16/h4-12,14-15H,3,13H2,1-2H3,(H,25,32)(H,26,28,29)
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n/an/a 70n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13900
PNG
(CHEMBL196018 | ethyl 4-[(3-chloro-4-fluorophenyl)a...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc(F)c(Cl)c3)c2c1CC
Show InChI InChI=1S/C17H16ClFN4O2/c1-3-11-12(17(24)25-4-2)8-23-15(11)16(20-9-21-23)22-10-5-6-14(19)13(18)7-10/h5-9H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13900
PNG
(CHEMBL196018 | ethyl 4-[(3-chloro-4-fluorophenyl)a...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc(F)c(Cl)c3)c2c1CC
Show InChI InChI=1S/C17H16ClFN4O2/c1-3-11-12(17(24)25-4-2)8-23-15(11)16(20-9-21-23)22-10-5-6-14(19)13(18)7-10/h5-9H,3-4H2,1-2H3,(H,20,21,22)
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n/an/a 90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13912
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(N)=O
Show InChI InChI=1S/C23H21N7O/c1-2-18-19(22(24)31)13-30-21(18)23(25-14-27-30)28-17-8-9-20-16(10-17)11-26-29(20)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H2,24,31)(H,25,27,28)
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13912
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(N)=O
Show InChI InChI=1S/C23H21N7O/c1-2-18-19(22(24)31)13-30-21(18)23(25-14-27-30)28-17-8-9-20-16(10-17)11-26-29(20)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H2,24,31)(H,25,27,28)
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HER2 cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13912
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(N)=O
Show InChI InChI=1S/C23H21N7O/c1-2-18-19(22(24)31)13-30-21(18)23(25-14-27-30)28-17-8-9-20-16(10-17)11-26-29(20)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H2,24,31)(H,25,27,28)
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13906
PNG
(CHEMBL425738 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCOC(=O)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnn2c1
Show InChI InChI=1S/C23H20N6O2/c1-2-31-23(30)18-11-21-22(24-15-26-29(21)14-18)27-19-8-9-20-17(10-19)12-25-28(20)13-16-6-4-3-5-7-16/h3-12,14-15H,2,13H2,1H3,(H,24,26,27)
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13904
PNG
(CHEMBL196925 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
Show InChI InChI=1S/C25H24N6O2/c1-3-20-21(25(32)33-4-2)15-31-23(20)24(26-16-28-31)29-19-10-11-22-18(12-19)13-27-30(22)14-17-8-6-5-7-9-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,28,29)
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13912
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(N)=O
Show InChI InChI=1S/C23H21N7O/c1-2-18-19(22(24)31)13-30-21(18)23(25-14-27-30)28-17-8-9-20-16(10-17)11-26-29(20)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H2,24,31)(H,25,27,28)
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13906
PNG
(CHEMBL425738 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCOC(=O)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnn2c1
Show InChI InChI=1S/C23H20N6O2/c1-2-31-23(30)18-11-21-22(24-15-26-29(21)14-18)27-19-8-9-20-17(10-19)12-25-28(20)13-16-6-4-3-5-7-16/h3-12,14-15H,2,13H2,1H3,(H,24,26,27)
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13904
PNG
(CHEMBL196925 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
Show InChI InChI=1S/C25H24N6O2/c1-3-20-21(25(32)33-4-2)15-31-23(20)24(26-16-28-31)29-19-10-11-22-18(12-19)13-27-30(22)14-17-8-6-5-7-9-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,28,29)
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13913
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-N-meth...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)NC
Show InChI InChI=1S/C24H23N7O/c1-3-19-20(24(32)25-2)14-31-22(19)23(26-15-28-31)29-18-9-10-21-17(11-18)12-27-30(21)13-16-7-5-4-6-8-16/h4-12,14-15H,3,13H2,1-2H3,(H,25,32)(H,26,28,29)
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HER2 cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13913
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-N-meth...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)NC
Show InChI InChI=1S/C24H23N7O/c1-3-19-20(24(32)25-2)14-31-22(19)23(26-15-28-31)29-18-9-10-21-17(11-18)12-27-30(21)13-16-7-5-4-6-8-16/h4-12,14-15H,3,13H2,1-2H3,(H,25,32)(H,26,28,29)
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13922
PNG
(3-(1H-imidazol-1-yl)propyl 4-[(1-benzyl-1H-indazol...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)OCCCn1ccnc1
Show InChI InChI=1S/C29H28N8O2/c1-2-24-25(29(38)39-14-6-12-35-13-11-30-20-35)18-37-27(24)28(31-19-33-37)34-23-9-10-26-22(15-23)16-32-36(26)17-21-7-4-3-5-8-21/h3-5,7-11,13,15-16,18-20H,2,6,12,14,17H2,1H3,(H,31,33,34)
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n/an/a 170n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13915
PNG
(CHEMBL372523 | benzyl N-{4-[(1-benzyl-1H-indazol-5...)
Show SMILES CCc1c(NC(=O)OCc2ccccc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C30H27N7O2/c1-2-25-26(35-30(38)39-19-22-11-7-4-8-12-22)18-37-28(25)29(31-20-33-37)34-24-13-14-27-23(15-24)16-32-36(27)17-21-9-5-3-6-10-21/h3-16,18,20H,2,17,19H2,1H3,(H,35,38)(H,31,33,34)
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n/an/a 170n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13915
PNG
(CHEMBL372523 | benzyl N-{4-[(1-benzyl-1H-indazol-5...)
Show SMILES CCc1c(NC(=O)OCc2ccccc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C30H27N7O2/c1-2-25-26(35-30(38)39-19-22-11-7-4-8-12-22)18-37-28(25)29(31-20-33-37)34-24-13-14-27-23(15-24)16-32-36(27)17-21-9-5-3-6-10-21/h3-16,18,20H,2,17,19H2,1H3,(H,35,38)(H,31,33,34)
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n/an/a 170n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HER2 cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13922
PNG
(3-(1H-imidazol-1-yl)propyl 4-[(1-benzyl-1H-indazol...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)OCCCn1ccnc1
Show InChI InChI=1S/C29H28N8O2/c1-2-24-25(29(38)39-14-6-12-35-13-11-30-20-35)18-37-27(24)28(31-19-33-37)34-23-9-10-26-22(15-23)16-32-36(26)17-21-7-4-3-5-8-21/h3-5,7-11,13,15-16,18-20H,2,6,12,14,17H2,1H3,(H,31,33,34)
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n/an/a 170n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13904
PNG
(CHEMBL196925 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
Show InChI InChI=1S/C25H24N6O2/c1-3-20-21(25(32)33-4-2)15-31-23(20)24(26-16-28-31)29-19-10-11-22-18(12-19)13-27-30(22)14-17-8-6-5-7-9-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,28,29)
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13904
PNG
(CHEMBL196925 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
Show InChI InChI=1S/C25H24N6O2/c1-3-20-21(25(32)33-4-2)15-31-23(20)24(26-16-28-31)29-19-10-11-22-18(12-19)13-27-30(22)14-17-8-6-5-7-9-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,28,29)
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HER2 cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13914
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-N,N-di...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)N(C)C
Show InChI InChI=1S/C25H25N7O/c1-4-20-21(25(33)30(2)3)15-32-23(20)24(26-16-28-32)29-19-10-11-22-18(12-19)13-27-31(22)14-17-8-6-5-7-9-17/h5-13,15-16H,4,14H2,1-3H3,(H,26,28,29)
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13903
PNG
(ethyl 5-ethyl-4-{[(1R)-1-phenylethyl]amino}pyrrolo...)
Show SMILES CCOC(=O)c1cn2ncnc(N[C@H](C)c3ccccc3)c2c1CC |r|
Show InChI InChI=1S/C19H22N4O2/c1-4-15-16(19(24)25-5-2)11-23-17(15)18(20-12-21-23)22-13(3)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3,(H,20,21,22)/t13-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50172018
PNG
(4-Benzylamino-5-ethyl-pyrrolo[2,1-f][1,2,4]triazin...)
Show SMILES CCOC(=O)c1cn2ncnc(NCc3ccccc3)c2c1CC
Show InChI InChI=1S/C18H20N4O2/c1-3-14-15(18(23)24-4-2)11-22-16(14)17(20-12-21-22)19-10-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,20,21)
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13907
PNG
(CHEMBL196738 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1C
Show InChI InChI=1S/C24H22N6O2/c1-3-32-24(31)20-14-30-22(16(20)2)23(25-15-27-30)28-19-9-10-21-18(11-19)12-26-29(21)13-17-7-5-4-6-8-17/h4-12,14-15H,3,13H2,1-2H3,(H,25,27,28)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13907
PNG
(CHEMBL196738 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1C
Show InChI InChI=1S/C24H22N6O2/c1-3-32-24(31)20-14-30-22(16(20)2)23(25-15-27-30)28-19-9-10-21-18(11-19)12-26-29(21)13-17-7-5-4-6-8-17/h4-12,14-15H,3,13H2,1-2H3,(H,25,27,28)
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HER2 cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13908
PNG
(CHEMBL365606 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1C(C)C
Show InChI InChI=1S/C26H26N6O2/c1-4-34-26(33)21-15-32-24(23(21)17(2)3)25(27-16-29-32)30-20-10-11-22-19(12-20)13-28-31(22)14-18-8-6-5-7-9-18/h5-13,15-17H,4,14H2,1-3H3,(H,27,29,30)
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13908
PNG
(CHEMBL365606 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1C(C)C
Show InChI InChI=1S/C26H26N6O2/c1-4-34-26(33)21-15-32-24(23(21)17(2)3)25(27-16-29-32)30-20-10-11-22-19(12-20)13-28-31(22)14-18-8-6-5-7-9-18/h5-13,15-17H,4,14H2,1-3H3,(H,27,29,30)
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13914
PNG
(4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-N,N-di...)
Show SMILES CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)N(C)C
Show InChI InChI=1S/C25H25N7O/c1-4-20-21(25(33)30(2)3)15-32-23(20)24(26-16-28-32)29-19-10-11-22-18(12-19)13-27-31(22)14-17-8-6-5-7-9-17/h5-13,15-16H,4,14H2,1-3H3,(H,26,28,29)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13907
PNG
(CHEMBL196738 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1C
Show InChI InChI=1S/C24H22N6O2/c1-3-32-24(31)20-14-30-22(16(20)2)23(25-15-27-30)28-19-9-10-21-18(11-19)12-26-29(21)13-17-7-5-4-6-8-17/h4-12,14-15H,3,13H2,1-2H3,(H,25,27,28)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13907
PNG
(CHEMBL196738 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1C
Show InChI InChI=1S/C24H22N6O2/c1-3-32-24(31)20-14-30-22(16(20)2)23(25-15-27-30)28-19-9-10-21-18(11-19)12-26-29(21)13-17-7-5-4-6-8-17/h4-12,14-15H,3,13H2,1-2H3,(H,25,27,28)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13915
PNG
(CHEMBL372523 | benzyl N-{4-[(1-benzyl-1H-indazol-5...)
Show SMILES CCc1c(NC(=O)OCc2ccccc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C30H27N7O2/c1-2-25-26(35-30(38)39-19-22-11-7-4-8-12-22)18-37-28(25)29(31-20-33-37)34-24-13-14-27-23(15-24)16-32-36(27)17-21-9-5-3-6-10-21/h3-16,18,20H,2,17,19H2,1H3,(H,35,38)(H,31,33,34)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13908
PNG
(CHEMBL365606 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1C(C)C
Show InChI InChI=1S/C26H26N6O2/c1-4-34-26(33)21-15-32-24(23(21)17(2)3)25(27-16-29-32)30-20-10-11-22-19(12-20)13-28-31(22)14-18-8-6-5-7-9-18/h5-13,15-17H,4,14H2,1-3H3,(H,27,29,30)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13915
PNG
(CHEMBL372523 | benzyl N-{4-[(1-benzyl-1H-indazol-5...)
Show SMILES CCc1c(NC(=O)OCc2ccccc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C30H27N7O2/c1-2-25-26(35-30(38)39-19-22-11-7-4-8-12-22)18-37-28(25)29(31-20-33-37)34-24-13-14-27-23(15-24)16-32-36(27)17-21-9-5-3-6-10-21/h3-16,18,20H,2,17,19H2,1H3,(H,35,38)(H,31,33,34)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13908
PNG
(CHEMBL365606 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1C(C)C
Show InChI InChI=1S/C26H26N6O2/c1-4-34-26(33)21-15-32-24(23(21)17(2)3)25(27-16-29-32)30-20-10-11-22-19(12-20)13-28-31(22)14-18-8-6-5-7-9-18/h5-13,15-17H,4,14H2,1-3H3,(H,27,29,30)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HER2 cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
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