Found 34 hits for monomerid = 50363397 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank US Patent
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ontogenesis, LLC
US Patent
| Assay Description Compounds 2-4 and cabozantinib were each tested for binding of c-Met, VEGFR2, TIE2 and the control compound, staurosporine. Specifically, each compou... |
US Patent US10464902 (2019)
BindingDB Entry DOI: 10.7270/Q2R213S2 |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description Inhibition of RAF1 (unknown origin) |
Eur J Med Chem 179: 707-722 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.063 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of wild-type B-Raf |
Bioorg Med Chem Lett 22: 789-92 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.060 BindingDB Entry DOI: 10.7270/Q2SQ90VM |
More data for this Ligand-Target Pair | |
EBifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB
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| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb... |
Bioorg Med Chem Lett 23: 3732-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
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| DrugBank US Patent
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
BLUEPRINT MEDICINES CORPORATION
US Patent
| Assay Description A compound described herein can be tested in vitro for inhibition of wild-type RET and various mutant RET kinases, including e.g., RET V804L, RET V80... |
US Patent US10183928 (2019)
BindingDB Entry DOI: 10.7270/Q2CC12RW |
More data for this Ligand-Target Pair | |
RET kinase mutant (V804L)
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB
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| US Patent
| n/a | n/a | 29.8 | n/a | n/a | n/a | n/a | n/a | n/a |
BLUEPRINT MEDICINES CORPORATION
US Patent
| Assay Description A compound described herein can be tested in vitro for inhibition of wild-type RET and various mutant RET kinases, including e.g., RET V804L, RET V80... |
US Patent US10183928 (2019)
BindingDB Entry DOI: 10.7270/Q2CC12RW |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
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| DrugBank US Patent
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
BLUEPRINT MEDICINES CORPORATION
US Patent
| Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP... |
US Patent US10202365 (2019)
BindingDB Entry DOI: 10.7270/Q2736T1G |
More data for this Ligand-Target Pair | |
RET kinase mutant (V804L)
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB
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| US Patent
| n/a | n/a | 29.8 | n/a | n/a | n/a | n/a | n/a | n/a |
BLUEPRINT MEDICINES CORPORATION
US Patent
| Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ... |
US Patent US10202365 (2019)
BindingDB Entry DOI: 10.7270/Q2736T1G |
More data for this Ligand-Target Pair | |
RET kinase mutant (V804M)
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB
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| US Patent
| n/a | n/a | 46.7 | n/a | n/a | n/a | n/a | n/a | n/a |
BLUEPRINT MEDICINES CORPORATION
US Patent
| Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ... |
US Patent US10202365 (2019)
BindingDB Entry DOI: 10.7270/Q2736T1G |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
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| DrugBank US Patent
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) was incubated in a total of 12.5 μL of buffer (100 mM HE... |
J Med Chem 51: 1231-41 (2008)
BindingDB Entry DOI: 10.7270/Q22V2JDM |
More data for this Ligand-Target Pair | |
RET kinase mutant (V804L)
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB
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| US Patent
| n/a | n/a | 29.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) was incubated in a total of 12.5 μL of buffer (100 mM HE... |
J Med Chem 51: 1231-41 (2008)
BindingDB Entry DOI: 10.7270/Q22V2JDM |
More data for this Ligand-Target Pair | |
RET kinase mutant (V804M)
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB
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| US Patent
| n/a | n/a | 46.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) was incubated in a total of 12.5 μL of buffer (100 mM HE... |
J Med Chem 51: 1231-41 (2008)
BindingDB Entry DOI: 10.7270/Q22V2JDM |
More data for this Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB
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| Article PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TU Dortmund University
Curated by ChEMBL
| Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase |
J Med Chem 60: 8801-8815 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00841 BindingDB Entry DOI: 10.7270/Q2VM4FN0 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
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| DrugBank US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
BLUEPRINT MEDICINES CORPORATION
US Patent
| Assay Description In order to assess the activity of chemical compounds against the relevant kinase of interest, the Caliper LifeSciences electrophoretic mobility shif... |
US Patent US10584114 (2020)
BindingDB Entry DOI: 10.7270/Q27083V8 |
More data for this Ligand-Target Pair | |
RET kinase mutant (V804L)
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB
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| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
BLUEPRINT MEDICINES CORPORATION
US Patent
| Assay Description In order to assess the activity of chemical compounds against the relevant kinase of interest, the Caliper LifeSciences electrophoretic mobility shif... |
US Patent US10584114 (2020)
BindingDB Entry DOI: 10.7270/Q27083V8 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Fuzhou University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR1 (unknown origin) |
Eur J Med Chem 179: 916-935 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.070 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
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| DrugBank Article PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Fuzhou University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 (unknown origin) |
Eur J Med Chem 179: 916-935 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.070 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
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| DrugBank US Patent
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
BLUEPRINT MEDICINES CORPORATION
US Patent
| Assay Description In order to assess the activity of chemical compounds against the relevant kinase of interest, the Caliper LifeSciences electrophoretic mobility shif... |
US Patent US10774070 (2020)
|
More data for this Ligand-Target Pair | |
RET kinase mutant (V804L)
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB
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| US Patent
| n/a | n/a | 29.8 | n/a | n/a | n/a | n/a | n/a | n/a |
BLUEPRINT MEDICINES CORPORATION
US Patent
| Assay Description In order to assess the activity of chemical compounds against the relevant kinase of interest, the Caliper LifeSciences electrophoretic mobility shif... |
US Patent US10774070 (2020)
|
More data for this Ligand-Target Pair | |
RET kinase mutant (V804M)
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB
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| US Patent
| n/a | n/a | 46.7 | n/a | n/a | n/a | n/a | n/a | n/a |
BLUEPRINT MEDICINES CORPORATION
US Patent
| Assay Description In order to assess the activity of chemical compounds against the relevant kinase of interest, the Caliper LifeSciences electrophoretic mobility shif... |
US Patent US10774070 (2020)
|
More data for this Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) (unknown origin) expressed in baculovir... |
J Med Chem 62: 11135-11150 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01229 |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
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| Article PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using... |
J Med Chem 62: 11135-11150 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01229 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Mansoura University
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 (unknown origin) |
Eur J Med Chem 168: 315-329 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.050 |
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)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
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| DrugBank Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged TIE2 (unknown origin) using biotin-Ahx-EPKDDAYPLYSDFG peptide as substrate by HTRF method |
Eur J Med Chem 179: 707-722 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.063 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human wild type BRAF by Kinase-Glo luminescence assay |
Eur J Med Chem 179: 707-722 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.063 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT... |
Eur J Med Chem 179: 707-722 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.063 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Mus musculus) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
Reactome pathway
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| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description Inhibition of mouse VEGFR-2 (785 to 1376 residues) |
Eur J Med Chem 179: 707-722 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.063 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
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| DrugBank Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description Inhibition of VEGFR1 (unknown origin) |
Eur J Med Chem 179: 707-722 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.063 |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description Inhibition of PDGFR beta (561 to 1106 residues) (unknown origin) |
Eur J Med Chem 179: 707-722 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.063 |
More data for this Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description Inhibition of FGFR1 (unknown origin) |
Eur J Med Chem 179: 707-722 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.063 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Mus musculus (mouse)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB
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| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description Inhibition of mouse VEGFR-3 (818 to 1363 residues) |
Eur J Med Chem 179: 707-722 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.063 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description Inhibition of BRAF (unknown origin) |
Eur J Med Chem 179: 707-722 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.063 |
More data for this Ligand-Target Pair | |
Ephrin type-A receptor 2 (EPHA2)
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB
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| Article PubMed
| n/a | n/a | n/a | 869 | n/a | n/a | n/a | n/a | n/a |
Technical University of Munich
| Assay Description Kinobeads competition assays were performed in 96-well format as previously described using mixed protein lysates of four cancer cell lines (K-562, M... |
ACS Chem Biol 11: 3400-3411 (2016)
Article DOI: 10.1021/acschembio.6b00709 BindingDB Entry DOI: 10.7270/Q2TD9W5M |
More data for this Ligand-Target Pair | |
Glycine receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50363397
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | PDB
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| Article PubMed
| n/a | n/a | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el... |
J Med Chem 58: 2958-66 (2015)
Article DOI: 10.1021/jm501873p BindingDB Entry DOI: 10.7270/Q22F7Q4V |
More data for this Ligand-Target Pair | |