BDBM50274957 CHEMBL4127809

SMILES: CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CC[C@@H](C2)NC(=O)C=C)nc1

InChI Key: InChIKey=YCEOZSZHHSXWOQ-QFIPXVFZSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50274957   

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))	BDBM50274957 (CHEMBL4127809) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CC[C@@H](C2)NC(=O)C=C)nc1 |r| Show InChI InChI=1S/C30H34N10O/c1-3-28(41)33-22-11-12-40(20-22)29-24-17-27(32-19-25(24)35-30(37-29)34-21-7-5-4-6-8-21)36-26-10-9-23(18-31-26)39-15-13-38(2)14-16-39/h3-10,17-19,22H,1,11-16,20H2,2H3,(H,33,41)(H,31,32,36)(H,34,35,37)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M double mutant (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay				Bioorg Med Chem 26: 3619-3633 (2018) Article DOI: 10.1016/j.bmc.2018.05.039 BindingDB Entry DOI: 10.7270/Q2Z3224Q
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50274957 (CHEMBL4127809) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CC[C@@H](C2)NC(=O)C=C)nc1 |r| Show InChI InChI=1S/C30H34N10O/c1-3-28(41)33-22-11-12-40(20-22)29-24-17-27(32-19-25(24)35-30(37-29)34-21-7-5-4-6-8-21)36-26-10-9-23(18-31-26)39-15-13-38(2)14-16-39/h3-10,17-19,22H,1,11-16,20H2,2H3,(H,33,41)(H,31,32,36)(H,34,35,37)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	285	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay				Bioorg Med Chem 26: 3619-3633 (2018) Article DOI: 10.1016/j.bmc.2018.05.039 BindingDB Entry DOI: 10.7270/Q2Z3224Q
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50274957 (CHEMBL4127809) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CC[C@@H](C2)NC(=O)C=C)nc1 |r| Show InChI InChI=1S/C30H34N10O/c1-3-28(41)33-22-11-12-40(20-22)29-24-17-27(32-19-25(24)35-30(37-29)34-21-7-5-4-6-8-21)36-26-10-9-23(18-31-26)39-15-13-38(2)14-16-39/h3-10,17-19,22H,1,11-16,20H2,2H3,(H,33,41)(H,31,32,36)(H,34,35,37)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay				Bioorg Med Chem 26: 3619-3633 (2018) Article DOI: 10.1016/j.bmc.2018.05.039 BindingDB Entry DOI: 10.7270/Q2Z3224Q
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50274957 (CHEMBL4127809) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CC[C@@H](C2)NC(=O)C=C)nc1 |r| Show InChI InChI=1S/C30H34N10O/c1-3-28(41)33-22-11-12-40(20-22)29-24-17-27(32-19-25(24)35-30(37-29)34-21-7-5-4-6-8-21)36-26-10-9-23(18-31-26)39-15-13-38(2)14-16-39/h3-10,17-19,22H,1,11-16,20H2,2H3,(H,33,41)(H,31,32,36)(H,34,35,37)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	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				Bioorg Med Chem 26: 3619-3633 (2018) Article DOI: 10.1016/j.bmc.2018.05.039 BindingDB Entry DOI: 10.7270/Q2Z3224Q
					More data for this Ligand-Target Pair