BDBM50032633 CHEMBL3354194

SMILES: COC1CCN(CC1)c1nccc(Nc2cc3N(CCc3cn2)C(C)C)n1

InChI Key: InChIKey=CAVDETKDHRPSQK-UHFFFAOYSA-N

Data: 3 KI

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 = 50032633   

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))	BDBM50032633 (CHEMBL3354194) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3N(CCc3cn2)C(C)C)n1 Show InChI InChI=1S/C20H28N6O/c1-14(2)26-11-5-15-13-22-19(12-17(15)26)23-18-4-8-21-20(24-18)25-9-6-16(27-3)7-10-25/h4,8,12-14,16H,5-7,9-11H2,1-3H3,(H,21,22,23,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	423	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R mutant (unknown origin) by high-throughput biochemical screening				J Med Chem 57: 10176-91 (2014) Article DOI: 10.1021/jm501578n BindingDB Entry DOI: 10.7270/Q2XK8H5B
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50032633 (CHEMBL3354194) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3N(CCc3cn2)C(C)C)n1 Show InChI InChI=1S/C20H28N6O/c1-14(2)26-11-5-15-13-22-19(12-17(15)26)23-18-4-8-21-20(24-18)25-9-6-16(27-3)7-10-25/h4,8,12-14,16H,5-7,9-11H2,1-3H3,(H,21,22,23,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/del746 to 750 mutant (unknown origin) by high-throughput biochemical screening				J Med Chem 57: 10176-91 (2014) Article DOI: 10.1021/jm501578n BindingDB Entry DOI: 10.7270/Q2XK8H5B
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50032633 (CHEMBL3354194) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3N(CCc3cn2)C(C)C)n1 Show InChI InChI=1S/C20H28N6O/c1-14(2)26-11-5-15-13-22-19(12-17(15)26)23-18-4-8-21-20(24-18)25-9-6-16(27-3)7-10-25/h4,8,12-14,16H,5-7,9-11H2,1-3H3,(H,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) by high-throughput biochemical screening				J Med Chem 57: 10176-91 (2014) Article DOI: 10.1021/jm501578n BindingDB Entry DOI: 10.7270/Q2XK8H5B
					More data for this Ligand-Target Pair