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11 similar compounds to monomer 50221516

Compile data set for download or QSAR
Wt: 421.4
BDBM50221515
Wt: 389.4
BDBM50221517
Wt: 345.3
BDBM50221518
Wt: 428.5
BDBM50221519
Wt: 444.5
BDBM50221521
Wt: 450.5
BDBM50221524
Wt: 458.5
BDBM50221527
Wt: 450.5
BDBM50221528
Wt: 471.5
BDBM50221531
Wt: 437.4
BDBM50221532
Wt: 424.2
BDBM50221534

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 64 hits for monomerid = 50221515,50221517,50221518,50221519,50221521,50221524,50221527,50221528,50221531,50221532,50221534   
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))
BDBM50221531
PNG
(6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)-4-...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCN1CCN(C)CC1)C#N
Show InChI InChI=1S/C28H33N5O2/c1-32-10-12-33(13-11-32)9-6-14-35-27-17-24-23(16-26(27)34-2)28(21(18-29)19-30-24)31-25-15-22(25)20-7-4-3-5-8-20/h3-5,7-8,16-17,19,22,25H,6,9-15H2,1-2H3,(H,30,31)/t22-,25+/m0/s1
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3n/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))
BDBM50221518
PNG
(6,7-dimethoxy-4-((1R,2S)-2-phenylcyclopropylamino)...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
Show InChI InChI=1S/C21H19N3O2/c1-25-19-9-16-17(10-20(19)26-2)23-12-14(11-22)21(16)24-18-8-15(18)13-6-4-3-5-7-13/h3-7,9-10,12,15,18H,8H2,1-2H3,(H,23,24)/t15-,18+/m0/s1
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24n/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))
BDBM50221531
PNG
(6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)-4-...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCN1CCN(C)CC1)C#N
Show InChI InChI=1S/C28H33N5O2/c1-32-10-12-33(13-11-32)9-6-14-35-27-17-24-23(16-26(27)34-2)28(21(18-29)19-30-24)31-25-15-22(25)20-7-4-3-5-8-20/h3-5,7-8,16-17,19,22,25H,6,9-15H2,1-2H3,(H,30,31)/t22-,25+/m0/s1
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27n/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 SYK


(Homo sapiens (Human))
BDBM50221531
PNG
(6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)-4-...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCN1CCN(C)CC1)C#N
Show InChI InChI=1S/C28H33N5O2/c1-32-10-12-33(13-11-32)9-6-14-35-27-17-24-23(16-26(27)34-2)28(21(18-29)19-30-24)31-25-15-22(25)20-7-4-3-5-8-20/h3-5,7-8,16-17,19,22,25H,6,9-15H2,1-2H3,(H,30,31)/t22-,25+/m0/s1
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41n/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))
BDBM50221531
PNG
(6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)-4-...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCN1CCN(C)CC1)C#N
Show InChI InChI=1S/C28H33N5O2/c1-32-10-12-33(13-11-32)9-6-14-35-27-17-24-23(16-26(27)34-2)28(21(18-29)19-30-24)31-25-15-22(25)20-7-4-3-5-8-20/h3-5,7-8,16-17,19,22,25H,6,9-15H2,1-2H3,(H,30,31)/t22-,25+/m0/s1
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44n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50221524
PNG
(6-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)-7-(...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCc1cccnc1)C#N
Show InChI InChI=1S/C28H26N4O2/c1-33-26-14-23-24(15-27(26)34-12-6-8-19-7-5-11-30-17-19)31-18-21(16-29)28(23)32-25-13-22(25)20-9-3-2-4-10-20/h2-5,7,9-11,14-15,17-18,22,25H,6,8,12-13H2,1H3,(H,31,32)/t22-,25+/m0/s1
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49n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50221527
PNG
(7-methoxy-6-(3-morpholinopropoxy)-4-((1R,2S)-2-phe...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C27H30N4O3/c1-32-25-16-23-22(15-26(25)34-11-5-8-31-9-12-33-13-10-31)27(20(17-28)18-29-23)30-24-14-21(24)19-6-3-2-4-7-19/h2-4,6-7,15-16,18,21,24H,5,8-14H2,1H3,(H,29,30)/t21-,24+/m0/s1
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52n/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))
BDBM50221517
PNG
(6-methoxy-7-(2-methoxyethoxy)-4-((1R,2S)-2-phenylc...)
Show SMILES COCCOc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
Show InChI InChI=1S/C23H23N3O3/c1-27-8-9-29-22-12-19-18(11-21(22)28-2)23(16(13-24)14-25-19)26-20-10-17(20)15-6-4-3-5-7-15/h3-7,11-12,14,17,20H,8-10H2,1-2H3,(H,25,26)/t17-,20+/m0/s1
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60n/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))
BDBM50221521
PNG
(7-methoxy-6-(2-morpholinoethoxy)-4-((1R,2S)-2-phen...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCN1CCOCC1
Show InChI InChI=1S/C26H28N4O3/c1-31-24-15-22-21(14-25(24)33-12-9-30-7-10-32-11-8-30)26(19(16-27)17-28-22)29-23-13-20(23)18-5-3-2-4-6-18/h2-6,14-15,17,20,23H,7-13H2,1H3,(H,28,29)/t20-,23+/m0/s1
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64n/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))
BDBM50221528
PNG
(7-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)-6-(...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCc1cccnc1
Show InChI InChI=1S/C28H26N4O2/c1-33-26-15-24-23(14-27(26)34-12-6-8-19-7-5-11-30-17-19)28(21(16-29)18-31-24)32-25-13-22(25)20-9-3-2-4-10-20/h2-5,7,9-11,14-15,17-18,22,25H,6,8,12-13H2,1H3,(H,31,32)/t22-,25+/m0/s1
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68n/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))
BDBM50221532
PNG
(6,7-dimethoxy-4-((1R,2S)-2-(4-phenoxyphenyl)cyclop...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccc(Oc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C27H23N3O3/c1-31-25-13-22-23(14-26(25)32-2)29-16-18(15-28)27(22)30-24-12-21(24)17-8-10-20(11-9-17)33-19-6-4-3-5-7-19/h3-11,13-14,16,21,24H,12H2,1-2H3,(H,29,30)/t21-,24+/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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50221524
PNG
(6-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)-7-(...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCc1cccnc1)C#N
Show InChI InChI=1S/C28H26N4O2/c1-33-26-14-23-24(15-27(26)34-12-6-8-19-7-5-11-30-17-19)31-18-21(16-29)28(23)32-25-13-22(25)20-9-3-2-4-10-20/h2-5,7,9-11,14-15,17-18,22,25H,6,8,12-13H2,1H3,(H,31,32)/t22-,25+/m0/s1
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99n/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))
BDBM50221517
PNG
(6-methoxy-7-(2-methoxyethoxy)-4-((1R,2S)-2-phenylc...)
Show SMILES COCCOc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
Show InChI InChI=1S/C23H23N3O3/c1-27-8-9-29-22-12-19-18(11-21(22)28-2)23(16(13-24)14-25-19)26-20-10-17(20)15-6-4-3-5-7-15/h3-7,11-12,14,17,20H,8-10H2,1-2H3,(H,25,26)/t17-,20+/m0/s1
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110n/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 1


(Homo sapiens (Human))
BDBM50221531
PNG
(6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)-4-...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCN1CCN(C)CC1)C#N
Show InChI InChI=1S/C28H33N5O2/c1-32-10-12-33(13-11-32)9-6-14-35-27-17-24-23(16-26(27)34-2)28(21(18-29)19-30-24)31-25-15-22(25)20-7-4-3-5-8-20/h3-5,7-8,16-17,19,22,25H,6,9-15H2,1-2H3,(H,30,31)/t22-,25+/m0/s1
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110n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50221515
PNG
(6-(benzyloxy)-7-methoxy-4-((1R,2S)-2-phenylcyclopr...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCc1ccccc1
Show InChI InChI=1S/C27H23N3O2/c1-31-25-14-23-22(13-26(25)32-17-18-8-4-2-5-9-18)27(20(15-28)16-29-23)30-24-12-21(24)19-10-6-3-7-11-19/h2-11,13-14,16,21,24H,12,17H2,1H3,(H,29,30)/t21-,24+/m0/s1
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120n/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))
BDBM50221524
PNG
(6-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)-7-(...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCc1cccnc1)C#N
Show InChI InChI=1S/C28H26N4O2/c1-33-26-14-23-24(15-27(26)34-12-6-8-19-7-5-11-30-17-19)31-18-21(16-29)28(23)32-25-13-22(25)20-9-3-2-4-10-20/h2-5,7,9-11,14-15,17-18,22,25H,6,8,12-13H2,1H3,(H,31,32)/t22-,25+/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 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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50221517
PNG
(6-methoxy-7-(2-methoxyethoxy)-4-((1R,2S)-2-phenylc...)
Show SMILES COCCOc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
Show InChI InChI=1S/C23H23N3O3/c1-27-8-9-29-22-12-19-18(11-21(22)28-2)23(16(13-24)14-25-19)26-20-10-17(20)15-6-4-3-5-7-15/h3-7,11-12,14,17,20H,8-10H2,1-2H3,(H,25,26)/t17-,20+/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 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))
BDBM50221518
PNG
(6,7-dimethoxy-4-((1R,2S)-2-phenylcyclopropylamino)...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
Show InChI InChI=1S/C21H19N3O2/c1-25-19-9-16-17(10-20(19)26-2)23-12-14(11-22)21(16)24-18-8-15(18)13-6-4-3-5-7-13/h3-7,9-10,12,15,18H,8H2,1-2H3,(H,23,24)/t15-,18+/m0/s1
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150n/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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50221521
PNG
(7-methoxy-6-(2-morpholinoethoxy)-4-((1R,2S)-2-phen...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCN1CCOCC1
Show InChI InChI=1S/C26H28N4O3/c1-31-24-15-22-21(14-25(24)33-12-9-30-7-10-32-11-8-30)26(19(16-27)17-28-22)29-23-13-20(23)18-5-3-2-4-6-18/h2-6,14-15,17,20,23H,7-13H2,1H3,(H,28,29)/t20-,23+/m0/s1
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150n/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))
BDBM50221517
PNG
(6-methoxy-7-(2-methoxyethoxy)-4-((1R,2S)-2-phenylc...)
Show SMILES COCCOc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
Show InChI InChI=1S/C23H23N3O3/c1-27-8-9-29-22-12-19-18(11-21(22)28-2)23(16(13-24)14-25-19)26-20-10-17(20)15-6-4-3-5-7-15/h3-7,11-12,14,17,20H,8-10H2,1-2H3,(H,25,26)/t17-,20+/m0/s1
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160n/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))
BDBM50221534
PNG
(4-((1R,2S)-2-(4-bromophenyl)cyclopropylamino)-6,7-...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccc(Br)cc3)c2cc1OC
Show InChI InChI=1S/C21H18BrN3O2/c1-26-19-8-16-17(9-20(19)27-2)24-11-13(10-23)21(16)25-18-7-15(18)12-3-5-14(22)6-4-12/h3-6,8-9,11,15,18H,7H2,1-2H3,(H,24,25)/t15-,18+/m0/s1
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220n/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))
BDBM50221524
PNG
(6-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)-7-(...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCc1cccnc1)C#N
Show InChI InChI=1S/C28H26N4O2/c1-33-26-14-23-24(15-27(26)34-12-6-8-19-7-5-11-30-17-19)31-18-21(16-29)28(23)32-25-13-22(25)20-9-3-2-4-10-20/h2-5,7,9-11,14-15,17-18,22,25H,6,8,12-13H2,1H3,(H,31,32)/t22-,25+/m0/s1
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220n/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))
BDBM50221518
PNG
(6,7-dimethoxy-4-((1R,2S)-2-phenylcyclopropylamino)...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
Show InChI InChI=1S/C21H19N3O2/c1-25-19-9-16-17(10-20(19)26-2)23-12-14(11-22)21(16)24-18-8-15(18)13-6-4-3-5-7-13/h3-7,9-10,12,15,18H,8H2,1-2H3,(H,23,24)/t15-,18+/m0/s1
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250n/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))
BDBM50221524
PNG
(6-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)-7-(...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCc1cccnc1)C#N
Show InChI InChI=1S/C28H26N4O2/c1-33-26-14-23-24(15-27(26)34-12-6-8-19-7-5-11-30-17-19)31-18-21(16-29)28(23)32-25-13-22(25)20-9-3-2-4-10-20/h2-5,7,9-11,14-15,17-18,22,25H,6,8,12-13H2,1H3,(H,31,32)/t22-,25+/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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50221531
PNG
(6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)-4-...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCN1CCN(C)CC1)C#N
Show InChI InChI=1S/C28H33N5O2/c1-32-10-12-33(13-11-32)9-6-14-35-27-17-24-23(16-26(27)34-2)28(21(18-29)19-30-24)31-25-15-22(25)20-7-4-3-5-8-20/h3-5,7-8,16-17,19,22,25H,6,9-15H2,1-2H3,(H,30,31)/t22-,25+/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 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))
BDBM50221515
PNG
(6-(benzyloxy)-7-methoxy-4-((1R,2S)-2-phenylcyclopr...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCc1ccccc1
Show InChI InChI=1S/C27H23N3O2/c1-31-25-14-23-22(13-26(25)32-17-18-8-4-2-5-9-18)27(20(15-28)16-29-23)30-24-12-21(24)19-10-6-3-7-11-19/h2-11,13-14,16,21,24H,12,17H2,1H3,(H,29,30)/t21-,24+/m0/s1
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330n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50221519
PNG
(6-methoxy-7-(1-methylpiperidin-4-yloxy)-4-((1R,2S)...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OC1CCN(C)CC1)C#N
Show InChI InChI=1S/C26H28N4O2/c1-30-10-8-19(9-11-30)32-25-14-22-21(13-24(25)31-2)26(18(15-27)16-28-22)29-23-12-20(23)17-6-4-3-5-7-17/h3-7,13-14,16,19-20,23H,8-12H2,1-2H3,(H,28,29)/t20-,23+/m0/s1
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360n/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 ABL1


(Homo sapiens (Human))
BDBM50221517
PNG
(6-methoxy-7-(2-methoxyethoxy)-4-((1R,2S)-2-phenylc...)
Show SMILES COCCOc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
Show InChI InChI=1S/C23H23N3O3/c1-27-8-9-29-22-12-19-18(11-21(22)28-2)23(16(13-24)14-25-19)26-20-10-17(20)15-6-4-3-5-7-15/h3-7,11-12,14,17,20H,8-10H2,1-2H3,(H,25,26)/t17-,20+/m0/s1
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390n/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 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50221527
PNG
(7-methoxy-6-(3-morpholinopropoxy)-4-((1R,2S)-2-phe...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C27H30N4O3/c1-32-25-16-23-22(15-26(25)34-11-5-8-31-9-12-33-13-10-31)27(20(17-28)18-29-23)30-24-14-21(24)19-6-3-2-4-7-19/h2-4,6-7,15-16,18,21,24H,5,8-14H2,1H3,(H,29,30)/t21-,24+/m0/s1
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560n/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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50221528
PNG
(7-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)-6-(...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCc1cccnc1
Show InChI InChI=1S/C28H26N4O2/c1-33-26-15-24-23(14-27(26)34-12-6-8-19-7-5-11-30-17-19)28(21(16-29)18-31-24)32-25-13-22(25)20-9-3-2-4-10-20/h2-5,7,9-11,14-15,17-18,22,25H,6,8,12-13H2,1H3,(H,31,32)/t22-,25+/m0/s1
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650n/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
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50221527
PNG
(7-methoxy-6-(3-morpholinopropoxy)-4-((1R,2S)-2-phe...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C27H30N4O3/c1-32-25-16-23-22(15-26(25)34-11-5-8-31-9-12-33-13-10-31)27(20(17-28)18-29-23)30-24-14-21(24)19-6-3-2-4-7-19/h2-4,6-7,15-16,18,21,24H,5,8-14H2,1H3,(H,29,30)/t21-,24+/m0/s1
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910n/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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50221518
PNG
(6,7-dimethoxy-4-((1R,2S)-2-phenylcyclopropylamino)...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
Show InChI InChI=1S/C21H19N3O2/c1-25-19-9-16-17(10-20(19)26-2)23-12-14(11-22)21(16)24-18-8-15(18)13-6-4-3-5-7-13/h3-7,9-10,12,15,18H,8H2,1-2H3,(H,23,24)/t15-,18+/m0/s1
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950n/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))
BDBM50221519
PNG
(6-methoxy-7-(1-methylpiperidin-4-yloxy)-4-((1R,2S)...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OC1CCN(C)CC1)C#N
Show InChI InChI=1S/C26H28N4O2/c1-30-10-8-19(9-11-30)32-25-14-22-21(13-24(25)31-2)26(18(15-27)16-28-22)29-23-12-20(23)17-6-4-3-5-7-17/h3-7,13-14,16,19-20,23H,8-12H2,1-2H3,(H,28,29)/t20-,23+/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 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))
BDBM50221518
PNG
(6,7-dimethoxy-4-((1R,2S)-2-phenylcyclopropylamino)...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
Show InChI InChI=1S/C21H19N3O2/c1-25-19-9-16-17(10-20(19)26-2)23-12-14(11-22)21(16)24-18-8-15(18)13-6-4-3-5-7-13/h3-7,9-10,12,15,18H,8H2,1-2H3,(H,23,24)/t15-,18+/m0/s1
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1.60E+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 1


(Homo sapiens (Human))
BDBM50221528
PNG
(7-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)-6-(...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCc1cccnc1
Show InChI InChI=1S/C28H26N4O2/c1-33-26-15-24-23(14-27(26)34-12-6-8-19-7-5-11-30-17-19)28(21(16-29)18-31-24)32-25-13-22(25)20-9-3-2-4-10-20/h2-5,7,9-11,14-15,17-18,22,25H,6,8,12-13H2,1H3,(H,31,32)/t22-,25+/m0/s1
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1.71E+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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50221528
PNG
(7-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)-6-(...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCc1cccnc1
Show InChI InChI=1S/C28H26N4O2/c1-33-26-15-24-23(14-27(26)34-12-6-8-19-7-5-11-30-17-19)28(21(16-29)18-31-24)32-25-13-22(25)20-9-3-2-4-10-20/h2-5,7,9-11,14-15,17-18,22,25H,6,8,12-13H2,1H3,(H,31,32)/t22-,25+/m0/s1
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1.80E+3n/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 ABL1


(Homo sapiens (Human))
BDBM50221527
PNG
(7-methoxy-6-(3-morpholinopropoxy)-4-((1R,2S)-2-phe...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C27H30N4O3/c1-32-25-16-23-22(15-26(25)34-11-5-8-31-9-12-33-13-10-31)27(20(17-28)18-29-23)30-24-14-21(24)19-6-3-2-4-7-19/h2-4,6-7,15-16,18,21,24H,5,8-14H2,1H3,(H,29,30)/t21-,24+/m0/s1
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1.80E+3n/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))
BDBM50221524
PNG
(6-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)-7-(...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OCCCc1cccnc1)C#N
Show InChI InChI=1S/C28H26N4O2/c1-33-26-14-23-24(15-27(26)34-12-6-8-19-7-5-11-30-17-19)31-18-21(16-29)28(23)32-25-13-22(25)20-9-3-2-4-10-20/h2-5,7,9-11,14-15,17-18,22,25H,6,8,12-13H2,1H3,(H,31,32)/t22-,25+/m0/s1
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1.90E+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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50221518
PNG
(6,7-dimethoxy-4-((1R,2S)-2-phenylcyclopropylamino)...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
Show InChI InChI=1S/C21H19N3O2/c1-25-19-9-16-17(10-20(19)26-2)23-12-14(11-22)21(16)24-18-8-15(18)13-6-4-3-5-7-13/h3-7,9-10,12,15,18H,8H2,1-2H3,(H,23,24)/t15-,18+/m0/s1
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2.10E+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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50221515
PNG
(6-(benzyloxy)-7-methoxy-4-((1R,2S)-2-phenylcyclopr...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCc1ccccc1
Show InChI InChI=1S/C27H23N3O2/c1-31-25-14-23-22(13-26(25)32-17-18-8-4-2-5-9-18)27(20(15-28)16-29-23)30-24-12-21(24)19-10-6-3-7-11-19/h2-11,13-14,16,21,24H,12,17H2,1H3,(H,29,30)/t21-,24+/m0/s1
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2.60E+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
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50221517
PNG
(6-methoxy-7-(2-methoxyethoxy)-4-((1R,2S)-2-phenylc...)
Show SMILES COCCOc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
Show InChI InChI=1S/C23H23N3O3/c1-27-8-9-29-22-12-19-18(11-21(22)28-2)23(16(13-24)14-25-19)26-20-10-17(20)15-6-4-3-5-7-15/h3-7,11-12,14,17,20H,8-10H2,1-2H3,(H,25,26)/t17-,20+/m0/s1
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2.90E+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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50221521
PNG
(7-methoxy-6-(2-morpholinoethoxy)-4-((1R,2S)-2-phen...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCN1CCOCC1
Show InChI InChI=1S/C26H28N4O3/c1-31-24-15-22-21(14-25(24)33-12-9-30-7-10-32-11-8-30)26(19(16-27)17-28-22)29-23-13-20(23)18-5-3-2-4-6-18/h2-6,14-15,17,20,23H,7-13H2,1H3,(H,28,29)/t20-,23+/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 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))
BDBM50221528
PNG
(7-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)-6-(...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCc1cccnc1
Show InChI InChI=1S/C28H26N4O2/c1-33-26-15-24-23(14-27(26)34-12-6-8-19-7-5-11-30-17-19)28(21(16-29)18-31-24)32-25-13-22(25)20-9-3-2-4-10-20/h2-5,7,9-11,14-15,17-18,22,25H,6,8,12-13H2,1H3,(H,31,32)/t22-,25+/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 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))
BDBM50221521
PNG
(7-methoxy-6-(2-morpholinoethoxy)-4-((1R,2S)-2-phen...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCN1CCOCC1
Show InChI InChI=1S/C26H28N4O3/c1-31-24-15-22-21(14-25(24)33-12-9-30-7-10-32-11-8-30)26(19(16-27)17-28-22)29-23-13-20(23)18-5-3-2-4-6-18/h2-6,14-15,17,20,23H,7-13H2,1H3,(H,28,29)/t20-,23+/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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50221515
PNG
(6-(benzyloxy)-7-methoxy-4-((1R,2S)-2-phenylcyclopr...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCc1ccccc1
Show InChI InChI=1S/C27H23N3O2/c1-31-25-14-23-22(13-26(25)32-17-18-8-4-2-5-9-18)27(20(15-28)16-29-23)30-24-12-21(24)19-10-6-3-7-11-19/h2-11,13-14,16,21,24H,12,17H2,1H3,(H,29,30)/t21-,24+/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))
BDBM50221515
PNG
(6-(benzyloxy)-7-methoxy-4-((1R,2S)-2-phenylcyclopr...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCc1ccccc1
Show InChI InChI=1S/C27H23N3O2/c1-31-25-14-23-22(13-26(25)32-17-18-8-4-2-5-9-18)27(20(15-28)16-29-23)30-24-12-21(24)19-10-6-3-7-11-19/h2-11,13-14,16,21,24H,12,17H2,1H3,(H,29,30)/t21-,24+/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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50221519
PNG
(6-methoxy-7-(1-methylpiperidin-4-yloxy)-4-((1R,2S)...)
Show SMILES COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(cnc2cc1OC1CCN(C)CC1)C#N
Show InChI InChI=1S/C26H28N4O2/c1-30-10-8-19(9-11-30)32-25-14-22-21(13-24(25)31-2)26(18(15-27)16-28-22)29-23-12-20(23)17-6-4-3-5-7-17/h3-7,13-14,16,19-20,23H,8-12H2,1-2H3,(H,28,29)/t20-,23+/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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50221527
PNG
(7-methoxy-6-(3-morpholinopropoxy)-4-((1R,2S)-2-phe...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C27H30N4O3/c1-32-25-16-23-22(15-26(25)34-11-5-8-31-9-12-33-13-10-31)27(20(17-28)18-29-23)30-24-14-21(24)19-6-3-2-4-7-19/h2-4,6-7,15-16,18,21,24H,5,8-14H2,1H3,(H,29,30)/t21-,24+/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 SYK


(Homo sapiens (Human))
BDBM50221521
PNG
(7-methoxy-6-(2-morpholinoethoxy)-4-((1R,2S)-2-phen...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCN1CCOCC1
Show InChI InChI=1S/C26H28N4O3/c1-31-24-15-22-21(14-25(24)33-12-9-30-7-10-32-11-8-30)26(19(16-27)17-28-22)29-23-13-20(23)18-5-3-2-4-6-18/h2-6,14-15,17,20,23H,7-13H2,1H3,(H,28,29)/t20-,23+/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 SYK


(Homo sapiens (Human))
BDBM50221528
PNG
(7-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)-6-(...)
Show SMILES COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCc1cccnc1
Show InChI InChI=1S/C28H26N4O2/c1-33-26-15-24-23(14-27(26)34-12-6-8-19-7-5-11-30-17-19)28(21(16-29)18-31-24)32-25-13-22(25)20-9-3-2-4-10-20/h2-5,7,9-11,14-15,17-18,22,25H,6,8,12-13H2,1H3,(H,31,32)/t22-,25+/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
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