BDBM50493287 CHEMBL2426285

SMILES: COc1ccc(NC(=O)CC#N)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

InChI Key: InChIKey=ONZWYLROLFHDPV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50493287   

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))	BDBM50493287 (CHEMBL2426285) Show SMILES COc1ccc(NC(=O)CC#N)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H17ClN6O2/c1-31-19-7-6-13(27-20(30)8-9-24)10-18(19)28-22-26-12-16(23)21(29-22)15-11-25-17-5-3-2-4-14(15)17/h2-7,10-12,25H,8H2,1H3,(H,27,30)(H,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of wild type EGFR phosphorylation in human LoVo cells after 2 hrs by fluorescence assay				J Med Chem 56: 7025-48 (2013) Article DOI: 10.1021/jm400822z BindingDB Entry DOI: 10.7270/Q2PN98KQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50493287 (CHEMBL2426285) Show SMILES COc1ccc(NC(=O)CC#N)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H17ClN6O2/c1-31-19-7-6-13(27-20(30)8-9-24)10-18(19)28-22-26-12-16(23)21(29-22)15-11-25-17-5-3-2-4-14(15)17/h2-7,10-12,25H,8H2,1H3,(H,27,30)(H,26,28,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human PC9 cells after 2 hrs by fluorescence assay				J Med Chem 56: 7025-48 (2013) Article DOI: 10.1021/jm400822z BindingDB Entry DOI: 10.7270/Q2PN98KQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50493287 (CHEMBL2426285) Show SMILES COc1ccc(NC(=O)CC#N)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H17ClN6O2/c1-31-19-7-6-13(27-20(30)8-9-24)10-18(19)28-22-26-12-16(23)21(29-22)15-11-25-17-5-3-2-4-14(15)17/h2-7,10-12,25H,8H2,1H3,(H,27,30)(H,26,28,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR L858R/T970M double mutant phosphorylation in human NCI-H1975 cells after 2 hrs by fluorescence assay				J Med Chem 56: 7025-48 (2013) Article DOI: 10.1021/jm400822z BindingDB Entry DOI: 10.7270/Q2PN98KQ
					More data for this Ligand-Target Pair