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PubMed code 18653333

Compile data set for download or QSAR
Found 32 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 and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272844
PNG
(5-(Dimethyl-hydrazonomethyl)-N-[1-(3-fluoro-benzyl...)
Show SMILES CN(C)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C21H21FN8/c1-29(2)26-11-18-20(23)24-13-25-21(18)28-17-6-7-19-15(9-17)10-27-30(19)12-14-4-3-5-16(22)8-14/h3-11,13H,12H2,1-2H3,(H3,23,24,25,28)/b26-11+
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n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272845
PNG
(CHEMBL498133 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...)
Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCOCC1
Show InChI InChI=1S/C23H23FN8O/c24-18-3-1-2-16(10-18)14-32-21-5-4-19(11-17(21)12-29-32)30-23-20(22(25)26-15-27-23)13-28-31-6-8-33-9-7-31/h1-5,10-13,15H,6-9,14H2,(H3,25,26,27,30)/b28-13+
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n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272881
PNG
(2-(4-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...)
Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCN(CCO)CC1
Show InChI InChI=1S/C25H28FN9O/c26-20-3-1-2-18(12-20)16-35-23-5-4-21(13-19(23)14-31-35)32-25-22(24(27)28-17-29-25)15-30-34-8-6-33(7-9-34)10-11-36/h1-5,12-15,17,36H,6-11,16H2,(H3,27,28,29,32)/b30-15+
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50272844
PNG
(5-(Dimethyl-hydrazonomethyl)-N-[1-(3-fluoro-benzyl...)
Show SMILES CN(C)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C21H21FN8/c1-29(2)26-11-18-20(23)24-13-25-21(18)28-17-6-7-19-15(9-17)10-27-30(19)12-14-4-3-5-16(22)8-14/h3-11,13H,12H2,1-2H3,(H3,23,24,25,28)/b26-11+
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human EGFR expressed in SF9 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50240214
PNG
(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-6-amin...)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C20H18FN7O/c1-29-26-10-17-19(22)23-12-24-20(17)27-16-5-6-18-14(8-16)9-25-28(18)11-13-3-2-4-15(21)7-13/h2-10,12H,11H2,1H3,(H3,22,23,24,27)/b26-10+
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human EGFR expressed in SF9 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272847
PNG
(CHEMBL498134 | N4-(1-(3-fluorobenzyl)-1H-indazol-5...)
Show SMILES CN1CCN(CC1)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C24H26FN9/c1-32-7-9-33(10-8-32)29-14-21-23(26)27-16-28-24(21)31-20-5-6-22-18(12-20)13-30-34(22)15-17-3-2-4-19(25)11-17/h2-6,11-14,16H,7-10,15H2,1H3,(H3,26,27,28,31)/b29-14+
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50272881
PNG
(2-(4-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...)
Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCN(CCO)CC1
Show InChI InChI=1S/C25H28FN9O/c26-20-3-1-2-18(12-20)16-35-23-5-4-21(13-19(23)14-31-35)32-25-22(24(27)28-17-29-25)15-30-34-8-6-33(7-9-34)10-11-36/h1-5,12-15,17,36H,6-11,16H2,(H3,27,28,29,32)/b30-15+
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n/an/a 9n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human EGFR expressed in SF9 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50272807
PNG
(CHEMBL497697 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...)
Show SMILES CN=NCc1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C20H19FN8/c1-23-26-10-17-19(22)24-12-25-20(17)28-16-5-6-18-14(8-16)9-27-29(18)11-13-3-2-4-15(21)7-13/h2-9,12H,10-11H2,1H3,(H3,22,24,25,28)
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n/an/a 12n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human EGFR expressed in SF9 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50240214
PNG
(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-6-amin...)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C20H18FN7O/c1-29-26-10-17-19(22)23-12-24-20(17)27-16-5-6-18-14(8-16)9-25-28(18)11-13-3-2-4-15(21)7-13/h2-10,12H,11H2,1H3,(H3,22,23,24,27)/b26-10+
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n/an/a 12n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272844
PNG
(5-(Dimethyl-hydrazonomethyl)-N-[1-(3-fluoro-benzyl...)
Show SMILES CN(C)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C21H21FN8/c1-29(2)26-11-18-20(23)24-13-25-21(18)28-17-6-7-19-15(9-17)10-27-30(19)12-14-4-3-5-16(22)8-14/h3-11,13H,12H2,1-2H3,(H3,23,24,25,28)/b26-11+
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n/an/a 15n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErB2 phosphorylation in human SKBR3 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50272845
PNG
(CHEMBL498133 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...)
Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCOCC1
Show InChI InChI=1S/C23H23FN8O/c24-18-3-1-2-16(10-18)14-32-21-5-4-19(11-17(21)12-29-32)30-23-20(22(25)26-15-27-23)13-28-31-6-8-33-9-7-31/h1-5,10-13,15H,6-9,14H2,(H3,25,26,27,30)/b28-13+
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n/an/a 16n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human EGFR expressed in SF9 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50272847
PNG
(CHEMBL498134 | N4-(1-(3-fluorobenzyl)-1H-indazol-5...)
Show SMILES CN1CCN(CC1)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C24H26FN9/c1-32-7-9-33(10-8-32)29-14-21-23(26)27-16-28-24(21)31-20-5-6-22-18(12-20)13-30-34(22)15-17-3-2-4-19(25)11-17/h2-6,11-14,16H,7-10,15H2,1H3,(H3,26,27,28,31)/b29-14+
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n/an/a 16n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human EGFR expressed in SF9 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272846
PNG
(CHEMBL524457 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...)
Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCCCC1
Show InChI InChI=1S/C24H25FN8/c25-19-6-4-5-17(11-19)15-33-22-8-7-20(12-18(22)13-30-33)31-24-21(23(26)27-16-28-24)14-29-32-9-2-1-3-10-32/h4-8,11-14,16H,1-3,9-10,15H2,(H3,26,27,28,31)/b29-14+
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n/an/a 18n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272808
PNG
(CHEMBL497863 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...)
Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1CN=NCC(F)(F)F
Show InChI InChI=1S/C21H18F4N8/c22-15-3-1-2-13(6-15)10-33-18-5-4-16(7-14(18)8-31-33)32-20-17(19(26)27-12-28-20)9-29-30-11-21(23,24)25/h1-8,12H,9-11H2,(H3,26,27,28,32)
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n/an/a 20n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50272882
PNG
((S)-N4-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((2-...)
Show SMILES COC[C@@H]1CCCN1\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C25H27FN8O/c1-35-15-21-6-3-9-33(21)31-13-22-24(27)28-16-29-25(22)32-20-7-8-23-18(11-20)12-30-34(23)14-17-4-2-5-19(26)10-17/h2,4-5,7-8,10-13,16,21H,3,6,9,14-15H2,1H3,(H3,27,28,29,32)/b31-13+/t21-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human EGFR expressed in SF9 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50272846
PNG
(CHEMBL524457 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...)
Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCCCC1
Show InChI InChI=1S/C24H25FN8/c25-19-6-4-5-17(11-19)15-33-22-8-7-20(12-18(22)13-30-33)31-24-21(23(26)27-16-28-24)14-29-32-9-2-1-3-10-32/h4-8,11-14,16H,1-3,9-10,15H2,(H3,26,27,28,31)/b29-14+
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n/an/a 30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human EGFR expressed in SF9 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50272883
PNG
((R,E)-N4-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((...)
Show SMILES COC[C@H]1CCCN1\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C25H27FN8O/c1-35-15-21-6-3-9-33(21)31-13-22-24(27)28-16-29-25(22)32-20-7-8-23-18(11-20)12-30-34(23)14-17-4-2-5-19(26)10-17/h2,4-5,7-8,10-13,16,21H,3,6,9,14-15H2,1H3,(H3,27,28,29,32)/b31-13+/t21-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human EGFR expressed in SF9 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272882
PNG
((S)-N4-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((2-...)
Show SMILES COC[C@@H]1CCCN1\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C25H27FN8O/c1-35-15-21-6-3-9-33(21)31-13-22-24(27)28-16-29-25(22)32-20-7-8-23-18(11-20)12-30-34(23)14-17-4-2-5-19(26)10-17/h2,4-5,7-8,10-13,16,21H,3,6,9,14-15H2,1H3,(H3,27,28,29,32)/b31-13+/t21-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50272809
PNG
(CHEMBL525725 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...)
Show SMILES COc1ccc(cc1)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C26H22FN7O/c1-35-22-8-5-20(6-9-22)29-14-23-25(28)30-16-31-26(23)33-21-7-10-24-18(12-21)13-32-34(24)15-17-3-2-4-19(27)11-17/h2-14,16H,15H2,1H3,(H3,28,30,31,33)/b29-14+
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n/an/a 49n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human EGFR expressed in SF9 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50272808
PNG
(CHEMBL497863 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...)
Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1CN=NCC(F)(F)F
Show InChI InChI=1S/C21H18F4N8/c22-15-3-1-2-13(6-15)10-33-18-5-4-16(7-14(18)8-31-33)32-20-17(19(26)27-12-28-20)9-29-30-11-21(23,24)25/h1-8,12H,9-11H2,(H3,26,27,28,32)
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n/an/a 52n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human EGFR expressed in SF9 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272881
PNG
(2-(4-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...)
Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCN(CCO)CC1
Show InChI InChI=1S/C25H28FN9O/c26-20-3-1-2-18(12-20)16-35-23-5-4-21(13-19(23)14-31-35)32-25-22(24(27)28-17-29-25)15-30-34-8-6-33(7-9-34)10-11-36/h1-5,12-15,17,36H,6-11,16H2,(H3,27,28,29,32)/b30-15+
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n/an/a 54n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErB2 phosphorylation in human SKBR3 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272883
PNG
((R,E)-N4-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((...)
Show SMILES COC[C@H]1CCCN1\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C25H27FN8O/c1-35-15-21-6-3-9-33(21)31-13-22-24(27)28-16-29-25(22)32-20-7-8-23-18(11-20)12-30-34(23)14-17-4-2-5-19(26)10-17/h2,4-5,7-8,10-13,16,21H,3,6,9,14-15H2,1H3,(H3,27,28,29,32)/b31-13+/t21-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272845
PNG
(CHEMBL498133 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...)
Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCOCC1
Show InChI InChI=1S/C23H23FN8O/c24-18-3-1-2-16(10-18)14-32-21-5-4-19(11-17(21)12-29-32)30-23-20(22(25)26-15-27-23)13-28-31-6-8-33-9-7-31/h1-5,10-13,15H,6-9,14H2,(H3,25,26,27,30)/b28-13+
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n/an/a 83n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErB2 phosphorylation in human SKBR3 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272807
PNG
(CHEMBL497697 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...)
Show SMILES CN=NCc1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C20H19FN8/c1-23-26-10-17-19(22)24-12-25-20(17)28-16-5-6-18-14(8-16)9-27-29(18)11-13-3-2-4-15(21)7-13/h2-9,12H,10-11H2,1H3,(H3,22,24,25,28)
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n/an/a 84n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272809
PNG
(CHEMBL525725 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...)
Show SMILES COc1ccc(cc1)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C26H22FN7O/c1-35-22-8-5-20(6-9-22)29-14-23-25(28)30-16-31-26(23)33-21-7-10-24-18(12-21)13-32-34(24)15-17-3-2-4-19(27)11-17/h2-14,16H,15H2,1H3,(H3,28,30,31,33)/b29-14+
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n/an/a 118n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272846
PNG
(CHEMBL524457 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...)
Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCCCC1
Show InChI InChI=1S/C24H25FN8/c25-19-6-4-5-17(11-19)15-33-22-8-7-20(12-18(22)13-30-33)31-24-21(23(26)27-16-28-24)14-29-32-9-2-1-3-10-32/h4-8,11-14,16H,1-3,9-10,15H2,(H3,26,27,28,31)/b29-14+
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n/an/a 148n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErB2 phosphorylation in human SKBR3 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272808
PNG
(CHEMBL497863 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...)
Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1CN=NCC(F)(F)F
Show InChI InChI=1S/C21H18F4N8/c22-15-3-1-2-13(6-15)10-33-18-5-4-16(7-14(18)8-31-33)32-20-17(19(26)27-12-28-20)9-29-30-11-21(23,24)25/h1-8,12H,9-11H2,(H3,26,27,28,32)
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n/an/a 258n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErB2 phosphorylation in human SKBR3 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50240214
PNG
(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-6-amin...)
Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C20H18FN7O/c1-29-26-10-17-19(22)23-12-24-20(17)27-16-5-6-18-14(8-16)9-25-28(18)11-13-3-2-4-15(21)7-13/h2-10,12H,11H2,1H3,(H3,22,23,24,27)/b26-10+
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n/an/a 301n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErB2 phosphorylation in human SKBR3 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272807
PNG
(CHEMBL497697 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...)
Show SMILES CN=NCc1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C20H19FN8/c1-23-26-10-17-19(22)24-12-25-20(17)28-16-5-6-18-14(8-16)9-27-29(18)11-13-3-2-4-15(21)7-13/h2-9,12H,10-11H2,1H3,(H3,22,24,25,28)
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n/an/a 361n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErB2 phosphorylation in human SKBR3 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272882
PNG
((S)-N4-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((2-...)
Show SMILES COC[C@@H]1CCCN1\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C25H27FN8O/c1-35-15-21-6-3-9-33(21)31-13-22-24(27)28-16-29-25(22)32-20-7-8-23-18(11-20)12-30-34(23)14-17-4-2-5-19(26)10-17/h2,4-5,7-8,10-13,16,21H,3,6,9,14-15H2,1H3,(H3,27,28,29,32)/b31-13+/t21-/m0/s1
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n/an/a 426n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErB2 phosphorylation in human SKBR3 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272847
PNG
(CHEMBL498134 | N4-(1-(3-fluorobenzyl)-1H-indazol-5...)
Show SMILES CN1CCN(CC1)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C24H26FN9/c1-32-7-9-33(10-8-32)29-14-21-23(26)27-16-28-24(21)31-20-5-6-22-18(12-20)13-30-34(22)15-17-3-2-4-19(25)11-17/h2-6,11-14,16H,7-10,15H2,1H3,(H3,26,27,28,31)/b29-14+
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n/an/a 509n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErB2 phosphorylation in human SKBR3 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50272809
PNG
(CHEMBL525725 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...)
Show SMILES COc1ccc(cc1)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
Show InChI InChI=1S/C26H22FN7O/c1-35-22-8-5-20(6-9-22)29-14-23-25(28)30-16-31-26(23)33-21-7-10-24-18(12-21)13-32-34(24)15-17-3-2-4-19(27)11-17/h2-14,16H,15H2,1H3,(H3,28,30,31,33)/b29-14+
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n/an/a 1.29E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ErB2 phosphorylation in human SKBR3 cells


Bioorg Med Chem Lett 18: 4615-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.020
BindingDB Entry DOI: 10.7270/Q2XD11HN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%