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PubMed code 16111887

Compile data set for download or QSAR
Found 104 hits of Enzyme Inhibition Constant Data   
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
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))		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
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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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))		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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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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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))		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))		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
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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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))		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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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))		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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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))		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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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))		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))		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))		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
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))		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))		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
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))		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
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
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))		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))		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 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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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))		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))		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))		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 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
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))		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 210n/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))		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 210n/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))		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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n/an/a 210n/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))		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 240n/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))		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 240n/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))		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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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))		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 390n/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))		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 460n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Sal2 (salivary gland carcinoma) cell line expressing active HER2

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))		BDBM13916
PNG
(CHEMBL373025 | pyrrolo[2,1-f][1,2,4]triazine analo...)
Show SMILES CCc1c(CO)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C23H22N6O/c1-2-20-18(14-30)13-29-22(20)23(24-15-26-29)27-19-8-9-21-17(10-19)11-25-28(21)12-16-6-4-3-5-7-16/h3-11,13,15,30H,2,12,14H2,1H3,(H,24,26,27)
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n/an/a 490n/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))		BDBM13916
PNG
(CHEMBL373025 | pyrrolo[2,1-f][1,2,4]triazine analo...)
Show SMILES CCc1c(CO)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C23H22N6O/c1-2-20-18(14-30)13-29-22(20)23(24-15-26-29)27-19-8-9-21-17(10-19)11-25-28(21)12-16-6-4-3-5-7-16/h3-11,13,15,30H,2,12,14H2,1H3,(H,24,26,27)
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n/an/a 490n/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))		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 500n/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))		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 500n/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))		BDBM13905
PNG
(CHEMBL194349 | ethyl 5-ethyl-4-[(4-phenoxyphenyl)a...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1CC
Show InChI InChI=1S/C23H22N4O3/c1-3-19-20(23(28)29-4-2)14-27-21(19)22(24-15-25-27)26-16-10-12-18(13-11-16)30-17-8-6-5-7-9-17/h5-15H,3-4H2,1-2H3,(H,24,25,26)
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n/an/a 610n/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))		BDBM13905
PNG
(CHEMBL194349 | ethyl 5-ethyl-4-[(4-phenoxyphenyl)a...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1CC
Show InChI InChI=1S/C23H22N4O3/c1-3-19-20(23(28)29-4-2)14-27-21(19)22(24-15-25-27)26-16-10-12-18(13-11-16)30-17-8-6-5-7-9-17/h5-15H,3-4H2,1-2H3,(H,24,25,26)
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n/an/a 610n/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))		BDBM13920
PNG
(2-{4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrr...)
Show SMILES CCc1c(CC(O)=O)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C24H22N6O2/c1-2-20-18(11-22(31)32)14-30-23(20)24(25-15-27-30)28-19-8-9-21-17(10-19)12-26-29(21)13-16-6-4-3-5-7-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,31,32)(H,25,27,28)
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n/an/a 680n/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))		BDBM13920
PNG
(2-{4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrr...)
Show SMILES CCc1c(CC(O)=O)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C24H22N6O2/c1-2-20-18(11-22(31)32)14-30-23(20)24(25-15-27-30)28-19-8-9-21-17(10-19)12-26-29(21)13-16-6-4-3-5-7-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,31,32)(H,25,27,28)
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n/an/a 680n/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))		BDBM13916
PNG
(CHEMBL373025 | pyrrolo[2,1-f][1,2,4]triazine analo...)
Show SMILES CCc1c(CO)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C23H22N6O/c1-2-20-18(14-30)13-29-22(20)23(24-15-26-29)27-19-8-9-21-17(10-19)11-25-28(21)12-16-6-4-3-5-7-16/h3-11,13,15,30H,2,12,14H2,1H3,(H,24,26,27)
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n/an/a 730n/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))		BDBM13916
PNG
(CHEMBL373025 | pyrrolo[2,1-f][1,2,4]triazine analo...)
Show SMILES CCc1c(CO)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C23H22N6O/c1-2-20-18(14-30)13-29-22(20)23(24-15-26-29)27-19-8-9-21-17(10-19)11-25-28(21)12-16-6-4-3-5-7-16/h3-11,13,15,30H,2,12,14H2,1H3,(H,24,26,27)
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n/an/a 730n/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))		BDBM13905
PNG
(CHEMBL194349 | ethyl 5-ethyl-4-[(4-phenoxyphenyl)a...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1CC
Show InChI InChI=1S/C23H22N4O3/c1-3-19-20(23(28)29-4-2)14-27-21(19)22(24-15-25-27)26-16-10-12-18(13-11-16)30-17-8-6-5-7-9-17/h5-15H,3-4H2,1-2H3,(H,24,25,26)
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n/an/a 820n/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))		BDBM13905
PNG
(CHEMBL194349 | ethyl 5-ethyl-4-[(4-phenoxyphenyl)a...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1CC
Show InChI InChI=1S/C23H22N4O3/c1-3-19-20(23(28)29-4-2)14-27-21(19)22(24-15-25-27)26-16-10-12-18(13-11-16)30-17-8-6-5-7-9-17/h5-15H,3-4H2,1-2H3,(H,24,25,26)
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n/an/a 820n/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))		BDBM13909
PNG
(CHEMBL438805 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)OCC
Show InChI InChI=1S/C26H26N6O2/c1-3-8-21-22(26(33)34-4-2)16-32-24(21)25(27-17-29-32)30-20-11-12-23-19(13-20)14-28-31(23)15-18-9-6-5-7-10-18/h5-7,9-14,16-17H,3-4,8,15H2,1-2H3,(H,27,29,30)
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n/an/a 950n/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))		BDBM13909
PNG
(CHEMBL438805 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)OCC
Show InChI InChI=1S/C26H26N6O2/c1-3-8-21-22(26(33)34-4-2)16-32-24(21)25(27-17-29-32)30-20-11-12-23-19(13-20)14-28-31(23)15-18-9-6-5-7-10-18/h5-7,9-14,16-17H,3-4,8,15H2,1-2H3,(H,27,29,30)
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n/an/a 950n/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))		BDBM13918
PNG
(1-benzyl-N-[6-(ethoxymethyl)-5-ethylpyrrolo[1,2-a]...)
Show SMILES CCOCc1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
Show InChI InChI=1S/C25H26N6O/c1-3-22-20(16-32-4-2)15-31-24(22)25(26-17-28-31)29-21-10-11-23-19(12-21)13-27-30(23)14-18-8-6-5-7-9-18/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,26,28,29)
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n/an/a 950n/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))		BDBM13918
PNG
(1-benzyl-N-[6-(ethoxymethyl)-5-ethylpyrrolo[1,2-a]...)
Show SMILES CCOCc1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
Show InChI InChI=1S/C25H26N6O/c1-3-22-20(16-32-4-2)15-31-24(22)25(26-17-28-31)29-21-10-11-23-19(12-21)13-27-30(23)14-18-8-6-5-7-9-18/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,26,28,29)
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n/an/a 950n/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))		BDBM13919
PNG
(2-{4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrr...)
Show SMILES CCc1c(CC(N)=O)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C24H23N7O/c1-2-20-18(11-22(25)32)14-31-23(20)24(26-15-28-31)29-19-8-9-21-17(10-19)12-27-30(21)13-16-6-4-3-5-7-16/h3-10,12,14-15H,2,11,13H2,1H3,(H2,25,32)(H,26,28,29)
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n/an/a 1.10E+3n/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))		BDBM13919
PNG
(2-{4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrr...)
Show SMILES CCc1c(CC(N)=O)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C24H23N7O/c1-2-20-18(11-22(25)32)14-31-23(20)24(26-15-28-31)29-19-8-9-21-17(10-19)12-27-30(21)13-16-6-4-3-5-7-16/h3-10,12,14-15H,2,11,13H2,1H3,(H2,25,32)(H,26,28,29)
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n/an/a 1.10E+3n/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))		BDBM13909
PNG
(CHEMBL438805 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)OCC
Show InChI InChI=1S/C26H26N6O2/c1-3-8-21-22(26(33)34-4-2)16-32-24(21)25(27-17-29-32)30-20-11-12-23-19(13-20)14-28-31(23)15-18-9-6-5-7-10-18/h5-7,9-14,16-17H,3-4,8,15H2,1-2H3,(H,27,29,30)
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n/an/a 1.20E+3n/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))		BDBM13909
PNG
(CHEMBL438805 | ethyl 4-[(1-benzyl-1H-indazol-5-yl)...)
Show SMILES CCCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)OCC
Show InChI InChI=1S/C26H26N6O2/c1-3-8-21-22(26(33)34-4-2)16-32-24(21)25(27-17-29-32)30-20-11-12-23-19(13-20)14-28-31(23)15-18-9-6-5-7-10-18/h5-7,9-14,16-17H,3-4,8,15H2,1-2H3,(H,27,29,30)
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n/an/a 1.20E+3n/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))		BDBM13918
PNG
(1-benzyl-N-[6-(ethoxymethyl)-5-ethylpyrrolo[1,2-a]...)
Show SMILES CCOCc1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
Show InChI InChI=1S/C25H26N6O/c1-3-22-20(16-32-4-2)15-31-24(22)25(26-17-28-31)29-21-10-11-23-19(12-21)13-27-30(23)14-18-8-6-5-7-9-18/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,26,28,29)
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n/an/a 1.40E+3n/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))		BDBM13918
PNG
(1-benzyl-N-[6-(ethoxymethyl)-5-ethylpyrrolo[1,2-a]...)
Show SMILES CCOCc1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
Show InChI InChI=1S/C25H26N6O/c1-3-22-20(16-32-4-2)15-31-24(22)25(26-17-28-31)29-21-10-11-23-19(12-21)13-27-30(23)14-18-8-6-5-7-9-18/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,26,28,29)
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n/an/a 1.40E+3n/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))		BDBM13920
PNG
(2-{4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrr...)
Show SMILES CCc1c(CC(O)=O)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C24H22N6O2/c1-2-20-18(11-22(31)32)14-30-23(20)24(25-15-27-30)28-19-8-9-21-17(10-19)12-26-29(21)13-16-6-4-3-5-7-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,31,32)(H,25,27,28)
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n/an/a 1.60E+3n/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))		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 1.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Sal2 (salivary gland carcinoma) cell line expressing active HER2

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))		BDBM13920
PNG
(2-{4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrr...)
Show SMILES CCc1c(CC(O)=O)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C24H22N6O2/c1-2-20-18(11-22(31)32)14-30-23(20)24(25-15-27-30)28-19-8-9-21-17(10-19)12-26-29(21)13-16-6-4-3-5-7-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,31,32)(H,25,27,28)
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n/an/a 1.60E+3n/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))		BDBM13919
PNG
(2-{4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrr...)
Show SMILES CCc1c(CC(N)=O)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C24H23N7O/c1-2-20-18(11-22(25)32)14-31-23(20)24(26-15-28-31)29-19-8-9-21-17(10-19)12-27-30(21)13-16-6-4-3-5-7-16/h3-10,12,14-15H,2,11,13H2,1H3,(H2,25,32)(H,26,28,29)
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n/an/a 2.40E+3n/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))		BDBM13919
PNG
(2-{4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrr...)
Show SMILES CCc1c(CC(N)=O)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C24H23N7O/c1-2-20-18(11-22(25)32)14-31-23(20)24(26-15-28-31)29-19-8-9-21-17(10-19)12-27-30(21)13-16-6-4-3-5-7-16/h3-10,12,14-15H,2,11,13H2,1H3,(H2,25,32)(H,26,28,29)
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n/an/a 2.40E+3n/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))		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 2.80E+3n/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))		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 2.80E+3n/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))		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 3.00E+3n/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))		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 3.00E+3n/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))		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 3.30E+3n/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))		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 3.30E+3n/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))		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 5.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Sal2 (salivary gland carcinoma) cell line expressing active HER2

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))		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 7.20E+3n/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))		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 7.20E+3n/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))		BDBM13917
PNG
(1-benzyl-N-{5-ethyl-6-[(ethylamino)methyl]pyrrolo[...)
Show SMILES CCNCc1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
Show InChI InChI=1S/C25H27N7/c1-3-22-20(13-26-4-2)16-32-24(22)25(27-17-29-32)30-21-10-11-23-19(12-21)14-28-31(23)15-18-8-6-5-7-9-18/h5-12,14,16-17,26H,3-4,13,15H2,1-2H3,(H,27,29,30)
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n/an/a 7.40E+3n/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))		BDBM13917
PNG
(1-benzyl-N-{5-ethyl-6-[(ethylamino)methyl]pyrrolo[...)
Show SMILES CCNCc1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
Show InChI InChI=1S/C25H27N7/c1-3-22-20(13-26-4-2)16-32-24(22)25(27-17-29-32)30-21-10-11-23-19(12-21)14-28-31(23)15-18-8-6-5-7-9-18/h5-12,14,16-17,26H,3-4,13,15H2,1-2H3,(H,27,29,30)
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n/an/a 7.40E+3n/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))		BDBM13917
PNG
(1-benzyl-N-{5-ethyl-6-[(ethylamino)methyl]pyrrolo[...)
Show SMILES CCNCc1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
Show InChI InChI=1S/C25H27N7/c1-3-22-20(13-26-4-2)16-32-24(22)25(27-17-29-32)30-21-10-11-23-19(12-21)14-28-31(23)15-18-8-6-5-7-9-18/h5-12,14,16-17,26H,3-4,13,15H2,1-2H3,(H,27,29,30)
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n/an/a 9.70E+3n/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))		BDBM13917
PNG
(1-benzyl-N-{5-ethyl-6-[(ethylamino)methyl]pyrrolo[...)
Show SMILES CCNCc1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
Show InChI InChI=1S/C25H27N7/c1-3-22-20(13-26-4-2)16-32-24(22)25(27-17-29-32)30-21-10-11-23-19(12-21)14-28-31(23)15-18-8-6-5-7-9-18/h5-12,14,16-17,26H,3-4,13,15H2,1-2H3,(H,27,29,30)
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n/an/a 9.70E+3n/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
Hepatocyte 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>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Met cytoplasmic sequence; Reported as mean (variability <15%)

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))		BDBM13910
PNG
(CHEMBL197568 | ethyl 5-benzyl-4-[(1-benzyl-1H-inda...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1Cc1ccccc1
Show InChI InChI=1S/C30H26N6O2/c1-2-38-30(37)26-19-36-28(25(26)15-21-9-5-3-6-10-21)29(31-20-33-36)34-24-13-14-27-23(16-24)17-32-35(27)18-22-11-7-4-8-12-22/h3-14,16-17,19-20H,2,15,18H2,1H3,(H,31,33,34)
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n/an/a>2.50E+4n/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
Focal adhesion kinase 1


(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>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAK cytoplasmic sequence; Reported as mean (variability <15%)

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
Insulin-like growth factor 1 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>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against IGF-1R cytoplasmic sequence; Reported as mean (variability <15%)

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))		BDBM13910
PNG
(CHEMBL197568 | ethyl 5-benzyl-4-[(1-benzyl-1H-inda...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1Cc1ccccc1
Show InChI InChI=1S/C30H26N6O2/c1-2-38-30(37)26-19-36-28(25(26)15-21-9-5-3-6-10-21)29(31-20-33-36)34-24-13-14-27-23(16-24)17-32-35(27)18-22-11-7-4-8-12-22/h3-14,16-17,19-20H,2,15,18H2,1H3,(H,31,33,34)
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n/an/a>2.50E+4n/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
MAP kinase-activated protein kinase 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>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against MAPKAP kinase 2 cytoplasmic sequence; Reported as mean (variability <15%)

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
Mitogen-activated protein kinase 14


(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>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against p38 cytoplasmic sequence; Reported as mean (variability <15%)

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))		BDBM13910
PNG
(CHEMBL197568 | ethyl 5-benzyl-4-[(1-benzyl-1H-inda...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1Cc1ccccc1
Show InChI InChI=1S/C30H26N6O2/c1-2-38-30(37)26-19-36-28(25(26)15-21-9-5-3-6-10-21)29(31-20-33-36)34-24-13-14-27-23(16-24)17-32-35(27)18-22-11-7-4-8-12-22/h3-14,16-17,19-20H,2,15,18H2,1H3,(H,31,33,34)
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n/an/a>2.50E+4n/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))		BDBM13910
PNG
(CHEMBL197568 | ethyl 5-benzyl-4-[(1-benzyl-1H-inda...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1Cc1ccccc1
Show InChI InChI=1S/C30H26N6O2/c1-2-38-30(37)26-19-36-28(25(26)15-21-9-5-3-6-10-21)29(31-20-33-36)34-24-13-14-27-23(16-24)17-32-35(27)18-22-11-7-4-8-12-22/h3-14,16-17,19-20H,2,15,18H2,1H3,(H,31,33,34)
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n/an/a>2.50E+4n/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
* indicates data uncertainty>20%