BDBM50157904 CHEMBL3781344

SMILES: CN1CCN(CC1)c1ccc(NC(=O)c2c(Nc3ccncn3)cc[nH]c2=O)cc1

InChI Key: InChIKey=ZMDBPJYOYRDINU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50157904   

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))	BDBM50157904 (CHEMBL3781344) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(Nc3ccncn3)cc[nH]c2=O)cc1 Show InChI InChI=1S/C21H23N7O2/c1-27-10-12-28(13-11-27)16-4-2-15(3-5-16)25-21(30)19-17(6-9-23-20(19)29)26-18-7-8-22-14-24-18/h2-9,14H,10-13H2,1H3,(H,25,30)(H2,22,23,24,26,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate...				ACS Med Chem Lett 7: 100-4 (2016) BindingDB Entry DOI: 10.7270/Q25T3NCC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50157904 (CHEMBL3781344) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(Nc3ccncn3)cc[nH]c2=O)cc1 Show InChI InChI=1S/C21H23N7O2/c1-27-10-12-28(13-11-27)16-4-2-15(3-5-16)25-21(30)19-17(6-9-23-20(19)29)26-18-7-8-22-14-24-18/h2-9,14H,10-13H2,1H3,(H,25,30)(H2,22,23,24,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA...				ACS Med Chem Lett 7: 100-4 (2016) BindingDB Entry DOI: 10.7270/Q25T3NCC
					More data for this Ligand-Target Pair