null

SMILES: CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCCCC2)nc1

InChI Key: InChIKey=KZEXEUUUKZMMBT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50458068   

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))	BDBM50458068 (CHEMBL4206716) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCCCC2)nc1 Show InChI InChI=1S/C28H33N9/c1-35-14-16-36(17-15-35)22-10-11-25(29-19-22)33-26-18-23-24(20-30-26)32-28(31-21-8-4-2-5-9-21)34-27(23)37-12-6-3-7-13-37/h2,4-5,8-11,18-20H,3,6-7,12-17H2,1H3,(H,29,30,33)(H,31,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR L858R mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay				Eur J Med Chem 148: 221-237 (2018) Article DOI: 10.1016/j.ejmech.2018.02.051 BindingDB Entry DOI: 10.7270/Q2H70JF4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50458068 (CHEMBL4206716) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCCCC2)nc1 Show InChI InChI=1S/C28H33N9/c1-35-14-16-36(17-15-35)22-10-11-25(29-19-22)33-26-18-23-24(20-30-26)32-28(31-21-8-4-2-5-9-21)34-27(23)37-12-6-3-7-13-37/h2,4-5,8-11,18-20H,3,6-7,12-17H2,1H3,(H,29,30,33)(H,31,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay				Eur J Med Chem 148: 221-237 (2018) Article DOI: 10.1016/j.ejmech.2018.02.051 BindingDB Entry DOI: 10.7270/Q2H70JF4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50458068 (CHEMBL4206716) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCCCC2)nc1 Show InChI InChI=1S/C28H33N9/c1-35-14-16-36(17-15-35)22-10-11-25(29-19-22)33-26-18-23-24(20-30-26)32-28(31-21-8-4-2-5-9-21)34-27(23)37-12-6-3-7-13-37/h2,4-5,8-11,18-20H,3,6-7,12-17H2,1H3,(H,29,30,33)(H,31,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR L858R/T790M/C797S mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence as...				Eur J Med Chem 148: 221-237 (2018) Article DOI: 10.1016/j.ejmech.2018.02.051 BindingDB Entry DOI: 10.7270/Q2H70JF4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50458068 (CHEMBL4206716) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCCCC2)nc1 Show InChI InChI=1S/C28H33N9/c1-35-14-16-36(17-15-35)22-10-11-25(29-19-22)33-26-18-23-24(20-30-26)32-28(31-21-8-4-2-5-9-21)34-27(23)37-12-6-3-7-13-37/h2,4-5,8-11,18-20H,3,6-7,12-17H2,1H3,(H,29,30,33)(H,31,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR L858R/T790M double mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence a...				Eur J Med Chem 148: 221-237 (2018) Article DOI: 10.1016/j.ejmech.2018.02.051 BindingDB Entry DOI: 10.7270/Q2H70JF4
					More data for this Ligand-Target Pair