BDBM50274958 CHEMBL4129209

SMILES: CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCC[C@H](C2)NC(=O)C=C)nc1

InChI Key: InChIKey=WEFQZVAPJGXAMW-HSZRJFAPSA-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 = 50274958   

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))	BDBM50274958 (CHEMBL4129209) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCC[C@H](C2)NC(=O)C=C)nc1 |r| Show InChI InChI=1S/C31H36N10O/c1-3-29(42)34-23-10-7-13-41(21-23)30-25-18-28(33-20-26(25)36-31(38-30)35-22-8-5-4-6-9-22)37-27-12-11-24(19-32-27)40-16-14-39(2)15-17-40/h3-6,8-9,11-12,18-20,23H,1,7,10,13-17,21H2,2H3,(H,34,42)(H,32,33,37)(H,35,36,38)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50274958 (CHEMBL4129209) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCC[C@H](C2)NC(=O)C=C)nc1 |r| Show InChI InChI=1S/C31H36N10O/c1-3-29(42)34-23-10-7-13-41(21-23)30-25-18-28(33-20-26(25)36-31(38-30)35-22-8-5-4-6-9-22)37-27-12-11-24(19-32-27)40-16-14-39(2)15-17-40/h3-6,8-9,11-12,18-20,23H,1,7,10,13-17,21H2,2H3,(H,34,42)(H,32,33,37)(H,35,36,38)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>500	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))	BDBM50274958 (CHEMBL4129209) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCC[C@H](C2)NC(=O)C=C)nc1 |r| Show InChI InChI=1S/C31H36N10O/c1-3-29(42)34-23-10-7-13-41(21-23)30-25-18-28(33-20-26(25)36-31(38-30)35-22-8-5-4-6-9-22)37-27-12-11-24(19-32-27)40-16-14-39(2)15-17-40/h3-6,8-9,11-12,18-20,23H,1,7,10,13-17,21H2,2H3,(H,34,42)(H,32,33,37)(H,35,36,38)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	164	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))	BDBM50274958 (CHEMBL4129209) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc3c(nc(Nc4ccccc4)nc3cn2)N2CCC[C@H](C2)NC(=O)C=C)nc1 |r| Show InChI InChI=1S/C31H36N10O/c1-3-29(42)34-23-10-7-13-41(21-23)30-25-18-28(33-20-26(25)36-31(38-30)35-22-8-5-4-6-9-22)37-27-12-11-24(19-32-27)40-16-14-39(2)15-17-40/h3-6,8-9,11-12,18-20,23H,1,7,10,13-17,21H2,2H3,(H,34,42)(H,32,33,37)(H,35,36,38)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	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