BDBM50191648 CHEMBL3946232

SMILES: Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C4=CCCC4)cc23)cc1Cl

InChI Key: InChIKey=DNJMPXSEZNNGGL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50191648   

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))	BDBM50191648 (CHEMBL3946232) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C4=CCCC4)cc23)cc1Cl |t:28| Show InChI InChI=1S/C27H29ClFN5O3/c28-21-14-19(6-7-22(21)29)32-26-20-15-24(33-27(35)18-4-1-2-5-18)25(16-23(20)30-17-31-26)37-11-3-8-34-9-12-36-13-10-34/h4,6-7,14-17H,1-3,5,8-13H2,(H,33,35)(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...				J Med Chem 59: 8103-24 (2016) BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191648 (CHEMBL3946232) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C4=CCCC4)cc23)cc1Cl |t:28| Show InChI InChI=1S/C27H29ClFN5O3/c28-21-14-19(6-7-22(21)29)32-26-20-15-24(33-27(35)18-4-1-2-5-18)25(16-23(20)30-17-31-26)37-11-3-8-34-9-12-36-13-10-34/h4,6-7,14-17H,1-3,5,8-13H2,(H,33,35)(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB1 (unknown origin) (Met-668 to Ala-1211 residues) expressed in baculovirus infected Sf9 insect cells assess...				J Med Chem 59: 8103-24 (2016) BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair