BindingDB PrimarySearch

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

Data: 6 IC50 7 Kd

PDB links: 4 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 26105
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM26105 (6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Harvard Medical School					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...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase MCE 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
Harvard Medical School					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...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase MCE 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
Harvard Medical School					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...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Harvard Medical School					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...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase MCE 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
Harvard Medical School					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...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase MCE 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
Harvard Medical School					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...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article 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) Article DOI: 10.1016/j.bmcl.2013.05.072 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...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
National Tsing Hua University Curated by ChEMBL					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...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
University of Genoa Curated by ChEMBL					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...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
University of Genoa Curated by ChEMBL					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...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article 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) Article DOI: 10.1016/j.bmcl.2013.05.072 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...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase MCE 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
Harvard Medical School					More data for this Ligand-Target Pair				3D Structure (crystal)