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3 similar compounds to monomer 50221525

Compile data set for download or QSAR
Wt: 460.5
BDBM50221520
Wt: 390.4
BDBM50221522
Wt: 460.5
BDBM50221529

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50221520,50221522,50221529   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50221522
PNG
(6-(4-(aminomethyl)phenyl)-4-((1R,2S)-2-phenylcyclo...)
Show SMILES NCc1ccc(cc1)-c1ccc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2c1
Show InChI InChI=1S/C26H22N4/c27-14-17-6-8-18(9-7-17)20-10-11-24-23(12-20)26(21(15-28)16-29-24)30-25-13-22(25)19-4-2-1-3-5-19/h1-12,16,22,25H,13-14,27H2,(H,29,30)/t22-,25+/m0/s1
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40n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50221529
PNG
(7-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2cc(ccc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-16-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)10-11-26(28)30(25)33-29-17-27(29)23-4-2-1-3-5-23/h1-11,16,19,27,29H,12-15,17,20H2,(H,32,33)/t27-,29+/m0/s1
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80n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50221522
PNG
(6-(4-(aminomethyl)phenyl)-4-((1R,2S)-2-phenylcyclo...)
Show SMILES NCc1ccc(cc1)-c1ccc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2c1
Show InChI InChI=1S/C26H22N4/c27-14-17-6-8-18(9-7-17)20-10-11-24-23(12-20)26(21(15-28)16-29-24)30-25-13-22(25)19-4-2-1-3-5-19/h1-12,16,22,25H,13-14,27H2,(H,29,30)/t22-,25+/m0/s1
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86n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SRC


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50221529
PNG
(7-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2cc(ccc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-16-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)10-11-26(28)30(25)33-29-17-27(29)23-4-2-1-3-5-23/h1-11,16,19,27,29H,12-15,17,20H2,(H,32,33)/t27-,29+/m0/s1
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140n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SRC


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50221529
PNG
(7-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2cc(ccc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-16-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)10-11-26(28)30(25)33-29-17-27(29)23-4-2-1-3-5-23/h1-11,16,19,27,29H,12-15,17,20H2,(H,32,33)/t27-,29+/m0/s1
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170n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50221520
PNG
(6-(3-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-10-9-24(23-8-4-5-21(15-23)20-34-11-13-35-14-12-34)16-27(28)30(25)33-29-17-26(29)22-6-2-1-3-7-22/h1-10,15-16,19,26,29H,11-14,17,20H2,(H,32,33)/t26-,29+/m0/s1
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280n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SRC


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50221529
PNG
(7-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2cc(ccc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-16-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)10-11-26(28)30(25)33-29-17-27(29)23-4-2-1-3-5-23/h1-11,16,19,27,29H,12-15,17,20H2,(H,32,33)/t27-,29+/m0/s1
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300n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ABL


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50221529
PNG
(7-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2cc(ccc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-16-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)10-11-26(28)30(25)33-29-17-27(29)23-4-2-1-3-5-23/h1-11,16,19,27,29H,12-15,17,20H2,(H,32,33)/t27-,29+/m0/s1
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300n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50221520
PNG
(6-(3-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-10-9-24(23-8-4-5-21(15-23)20-34-11-13-35-14-12-34)16-27(28)30(25)33-29-17-26(29)22-6-2-1-3-7-22/h1-10,15-16,19,26,29H,11-14,17,20H2,(H,32,33)/t26-,29+/m0/s1
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340n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by fluorescence polarization assay


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50221522
PNG
(6-(4-(aminomethyl)phenyl)-4-((1R,2S)-2-phenylcyclo...)
Show SMILES NCc1ccc(cc1)-c1ccc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2c1
Show InChI InChI=1S/C26H22N4/c27-14-17-6-8-18(9-7-17)20-10-11-24-23(12-20)26(21(15-28)16-29-24)30-25-13-22(25)19-4-2-1-3-5-19/h1-12,16,22,25H,13-14,27H2,(H,29,30)/t22-,25+/m0/s1
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450n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50221522
PNG
(6-(4-(aminomethyl)phenyl)-4-((1R,2S)-2-phenylcyclo...)
Show SMILES NCc1ccc(cc1)-c1ccc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2c1
Show InChI InChI=1S/C26H22N4/c27-14-17-6-8-18(9-7-17)20-10-11-24-23(12-20)26(21(15-28)16-29-24)30-25-13-22(25)19-4-2-1-3-5-19/h1-12,16,22,25H,13-14,27H2,(H,29,30)/t22-,25+/m0/s1
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770n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ABL


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50221529
PNG
(7-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2cc(ccc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-16-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)10-11-26(28)30(25)33-29-17-27(29)23-4-2-1-3-5-23/h1-11,16,19,27,29H,12-15,17,20H2,(H,32,33)/t27-,29+/m0/s1
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920n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Flt1


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50221522
PNG
(6-(4-(aminomethyl)phenyl)-4-((1R,2S)-2-phenylcyclo...)
Show SMILES NCc1ccc(cc1)-c1ccc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2c1
Show InChI InChI=1S/C26H22N4/c27-14-17-6-8-18(9-7-17)20-10-11-24-23(12-20)26(21(15-28)16-29-24)30-25-13-22(25)19-4-2-1-3-5-19/h1-12,16,22,25H,13-14,27H2,(H,29,30)/t22-,25+/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Flt1


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50221522
PNG
(6-(4-(aminomethyl)phenyl)-4-((1R,2S)-2-phenylcyclo...)
Show SMILES NCc1ccc(cc1)-c1ccc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2c1
Show InChI InChI=1S/C26H22N4/c27-14-17-6-8-18(9-7-17)20-10-11-24-23(12-20)26(21(15-28)16-29-24)30-25-13-22(25)19-4-2-1-3-5-19/h1-12,16,22,25H,13-14,27H2,(H,29,30)/t22-,25+/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50221520
PNG
(6-(3-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-10-9-24(23-8-4-5-21(15-23)20-34-11-13-35-14-12-34)16-27(28)30(25)33-29-17-26(29)22-6-2-1-3-7-22/h1-10,15-16,19,26,29H,11-14,17,20H2,(H,32,33)/t26-,29+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50221520
PNG
(6-(3-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-10-9-24(23-8-4-5-21(15-23)20-34-11-13-35-14-12-34)16-27(28)30(25)33-29-17-26(29)22-6-2-1-3-7-22/h1-10,15-16,19,26,29H,11-14,17,20H2,(H,32,33)/t26-,29+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ABL


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50221520
PNG
(6-(3-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-10-9-24(23-8-4-5-21(15-23)20-34-11-13-35-14-12-34)16-27(28)30(25)33-29-17-26(29)22-6-2-1-3-7-22/h1-10,15-16,19,26,29H,11-14,17,20H2,(H,32,33)/t26-,29+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Flt1


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50221520
PNG
(6-(3-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-10-9-24(23-8-4-5-21(15-23)20-34-11-13-35-14-12-34)16-27(28)30(25)33-29-17-26(29)22-6-2-1-3-7-22/h1-10,15-16,19,26,29H,11-14,17,20H2,(H,32,33)/t26-,29+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50221520
PNG
(6-(3-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-10-9-24(23-8-4-5-21(15-23)20-34-11-13-35-14-12-34)16-27(28)30(25)33-29-17-26(29)22-6-2-1-3-7-22/h1-10,15-16,19,26,29H,11-14,17,20H2,(H,32,33)/t26-,29+/m0/s1
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Article
PubMed
n/an/a 5.26E+3n/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR autophosphorylation in A431 cells


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50221522
PNG
(6-(4-(aminomethyl)phenyl)-4-((1R,2S)-2-phenylcyclo...)
Show SMILES NCc1ccc(cc1)-c1ccc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2c1
Show InChI InChI=1S/C26H22N4/c27-14-17-6-8-18(9-7-17)20-10-11-24-23(12-20)26(21(15-28)16-29-24)30-25-13-22(25)19-4-2-1-3-5-19/h1-12,16,22,25H,13-14,27H2,(H,29,30)/t22-,25+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR autophosphorylation in A431 cells


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50221529
PNG
(7-(4-(morpholinomethyl)phenyl)-4-((1R,2S)-2-phenyl...)
Show SMILES N#Cc1cnc2cc(ccc2c1N[C@@H]1C[C@H]1c1ccccc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-16-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)10-11-26(28)30(25)33-29-17-27(29)23-4-2-1-3-5-23/h1-11,16,19,27,29H,12-15,17,20H2,(H,32,33)/t27-,29+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 234n/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human EGFR autophosphorylation in A431 cells


Bioorg Med Chem Lett 17: 5978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.071
BindingDB Entry DOI: 10.7270/Q2VM4C0N
More data for this
Ligand-Target Pair