BDBM26105 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine::AEE788
SMILES: CCN1CCN(Cc2ccc(cc2)-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)CC1
InChI Key: InChIKey=OONFNUWBHFSNBT-HXUWFJFHSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM26105![]() (6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 10.9 | n/a | n/a | n/a | 7.4 | 22 |
Harvard Medical School | Assay Description The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro... | Cancer Cell 11: 217-27 (2007) Article DOI: 10.1016/j.ccr.2006.12.017 BindingDB Entry DOI: 10.7270/Q2JQ0ZBW | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
EGF-R Tyrosine Kinase Mutant (G719S) (Homo sapiens (Human)) | BDBM26105![]() (6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...) | PDB MMDB B.MOAD GoogleScholar | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 11.3 | n/a | n/a | n/a | 7.4 | 22 |
Harvard Medical School | Assay Description The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro... | Cancer Cell 11: 217-27 (2007) Article DOI: 10.1016/j.ccr.2006.12.017 BindingDB Entry DOI: 10.7270/Q2JQ0ZBW | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
EGF-R Tyrosine Kinase Mutant (L858R) (Homo sapiens (Human)) | BDBM26105![]() (6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...) | PDB MMDB B.MOAD GoogleScholar | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | 7.4 | 22 |
Harvard Medical School | Assay Description The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro... | Cancer Cell 11: 217-27 (2007) Article DOI: 10.1016/j.ccr.2006.12.017 BindingDB Entry DOI: 10.7270/Q2JQ0ZBW | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM26105![]() (6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 5.30 | n/a | n/a | n/a | 7.4 | 22 |
Harvard Medical School | Assay Description The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro... | Proc Natl Acad Sci U S A 105: 2070-5 (2008) Article DOI: 10.1073/pnas.0709662105 BindingDB Entry DOI: 10.7270/Q2DZ06MJ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
EGF-R Tyrosine Kinase Mutant (T790M) (Homo sapiens (Human)) | BDBM26105![]() (6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...) | PDB MMDB B.MOAD GoogleScholar | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 27.6 | n/a | n/a | n/a | 7.4 | 22 |
Harvard Medical School | Assay Description The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro... | Proc Natl Acad Sci U S A 105: 2070-5 (2008) Article DOI: 10.1073/pnas.0709662105 BindingDB Entry DOI: 10.7270/Q2DZ06MJ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
EGF-R Tyrosine Kinase Mutant (L858R) (Homo sapiens (Human)) | BDBM26105![]() (6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...) | PDB MMDB B.MOAD GoogleScholar | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | 7.4 | 22 |
Harvard Medical School | Assay Description The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro... | Proc Natl Acad Sci U S A 105: 2070-5 (2008) Article DOI: 10.1073/pnas.0709662105 BindingDB Entry DOI: 10.7270/Q2DZ06MJ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Tyrosine-protein kinase Yes (Homo sapiens (Human)) | BDBM26105![]() (6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Frederick National Laboratory for Cancer Research Curated by ChEMBL | Assay Description Inhibition of Yes1 (unknown origin) assessed as kinase-dependent enzymatic production of ADP from ATP using coupled luminescence-based reaction by AD... | Bioorg Med Chem Lett 23: 4398-403 (2013) BindingDB Entry DOI: 10.7270/Q2BR8W3F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human)) | BDBM26105![]() (6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
National Tsing Hua University Curated by ChEMBL | Assay Description Inhibition of RET kinase | Bioorg Med Chem Lett 21: 4490-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.003 BindingDB Entry DOI: 10.7270/Q2BV7H06 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM26105![]() (6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Norwegian University of Science and Technology Curated by ChEMBL | Assay Description Inhibition of EGFR by Z-LYTE assay | Eur J Med Chem 46: 6002-14 (2011) Article DOI: 10.1016/j.ejmech.2011.10.012 BindingDB Entry DOI: 10.7270/Q26M377V | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human)) | BDBM26105![]() (6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Genoa Curated by ChEMBL | Assay Description Inhibition of VEGFR1 | J Med Chem 55: 10797-822 (2012) Article DOI: 10.1021/jm301085w BindingDB Entry DOI: 10.7270/Q2BP03XZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human)) | BDBM26105![]() (6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Genoa Curated by ChEMBL | Assay Description Inhibition of VEGFR2 | J Med Chem 55: 10797-822 (2012) Article DOI: 10.1021/jm301085w BindingDB Entry DOI: 10.7270/Q2BP03XZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Yes (Homo sapiens (Human)) | BDBM26105![]() (6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Frederick National Laboratory for Cancer Research Curated by ChEMBL | Assay Description Inhibition of Yes1 (unknown origin) by [gamma-33P]-ATP radiolabeled enzyme activity assay | Bioorg Med Chem Lett 23: 4398-403 (2013) BindingDB Entry DOI: 10.7270/Q2BR8W3F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EGF-R Tyrosine Kinase Mutant (L858R/T790M) (Homo sapiens (Human)) | BDBM26105![]() (6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...) | PDB MMDB B.MOAD GoogleScholar | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 18.6 | n/a | n/a | n/a | 7.4 | 22 |
Harvard Medical School | Assay Description The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro... | Proc Natl Acad Sci U S A 105: 2070-5 (2008) Article DOI: 10.1073/pnas.0709662105 BindingDB Entry DOI: 10.7270/Q2DZ06MJ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |