BDBM50178140 CHEMBL3814824

SMILES: Nc1ncc(nc1-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1)-c1cnn(CCN2CCOCC2)c1

InChI Key: InChIKey=AHQYTULCADSYLZ-UHFFFAOYSA-N

Data: 3 EC50

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 3 hits for monomerid = 50178140   

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))	BDBM50178140 (CHEMBL3814824) Show SMILES Nc1ncc(nc1-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1)-c1cnn(CCN2CCOCC2)c1 Show InChI InChI=1S/C29H29N9O2/c1-2-26(39)33-21-6-5-7-22(16-21)38-25-9-4-3-8-23(25)35-29(38)27-28(30)31-18-24(34-27)20-17-32-37(19-20)11-10-36-12-14-40-15-13-36/h2-9,16-19H,1,10-15H2,(H2,30,31)(H,33,39)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA				ACS Med Chem Lett 7: 514-9 (2016) BindingDB Entry DOI: 10.7270/Q2474CSN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50178140 (CHEMBL3814824) Show SMILES Nc1ncc(nc1-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1)-c1cnn(CCN2CCOCC2)c1 Show InChI InChI=1S/C29H29N9O2/c1-2-26(39)33-21-6-5-7-22(16-21)38-25-9-4-3-8-23(25)35-29(38)27-28(30)31-18-24(34-27)20-17-32-37(19-20)11-10-36-12-14-40-15-13-36/h2-9,16-19H,1,10-15H2,(H2,30,31)(H,33,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR autophosphorylation in human LoVo cells incubated for 2 hrs followed by EGF-stiumlation for 10 mins by ELISA				ACS Med Chem Lett 7: 514-9 (2016) BindingDB Entry DOI: 10.7270/Q2474CSN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50178140 (CHEMBL3814824) Show SMILES Nc1ncc(nc1-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1)-c1cnn(CCN2CCOCC2)c1 Show InChI InChI=1S/C29H29N9O2/c1-2-26(39)33-21-6-5-7-22(16-21)38-25-9-4-3-8-23(25)35-29(38)27-28(30)31-18-24(34-27)20-17-32-37(19-20)11-10-36-12-14-40-15-13-36/h2-9,16-19H,1,10-15H2,(H2,30,31)(H,33,39)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant autophosphorylation in human NCI-H1975 cells incubated for 2 hrs by ELISA				ACS Med Chem Lett 7: 514-9 (2016) BindingDB Entry DOI: 10.7270/Q2474CSN
					More data for this Ligand-Target Pair