BDBM50493290 CHEMBL2426378

SMILES: COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc([S+](C)[O-])c(n1)-c1cnn2ccccc12

InChI Key: InChIKey=WALUXXPDOYDGOU-VQHVLOKHSA-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 = 50493290   

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))	BDBM50493290 (CHEMBL2426378) Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc([S+](C)[O-])c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C25H27N7O3S/c1-31(2)12-7-9-23(33)28-17-10-11-21(35-3)19(14-17)29-25-26-16-22(36(4)34)24(30-25)18-15-27-32-13-6-5-8-20(18)32/h5-11,13-16H,12H2,1-4H3,(H,28,33)(H,26,29,30)/b9-7+	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	1.30E+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))	BDBM50493290 (CHEMBL2426378) Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc([S+](C)[O-])c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C25H27N7O3S/c1-31(2)12-7-9-23(33)28-17-10-11-21(35-3)19(14-17)29-25-26-16-22(36(4)34)24(30-25)18-15-27-32-13-6-5-8-20(18)32/h5-11,13-16H,12H2,1-4H3,(H,28,33)(H,26,29,30)/b9-7+	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	1.52E+4	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50493290 (CHEMBL2426378) Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc([S+](C)[O-])c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C25H27N7O3S/c1-31(2)12-7-9-23(33)28-17-10-11-21(35-3)19(14-17)29-25-26-16-22(36(4)34)24(30-25)18-15-27-32-13-6-5-8-20(18)32/h5-11,13-16H,12H2,1-4H3,(H,28,33)(H,26,29,30)/b9-7+	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