BDBM50095261 (3-Chloro-phenyl)-(6,7-diethoxy-quinazolin-4-yl)-amine::4-(3'-chloroanilino)-6,7-diethoxyquinazoline hydrochloride::CHEMBL64950

SMILES: CCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC

InChI Key: InChIKey=VXCUTOVXETTYDM-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50095261   

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
Fructose-1,6-bisphosphatase 1 (FBPase) (Homo sapiens (Human))	BDBM50095261 ((3-Chloro-phenyl)-(6,7-diethoxy-quinazolin-4-yl)-a...) Show SMILES CCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC Show InChI InChI=1S/C18H18ClN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Concentration required to inhibit the human liver recombinant fructose-1,6-bisphosphatase.				Bioorg Med Chem Lett 11: 17-21 (2001) BindingDB Entry DOI: 10.7270/Q2HD7W52
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase) (Sus scrofa (Pig))	BDBM50095261 ((3-Chloro-phenyl)-(6,7-diethoxy-quinazolin-4-yl)-a...) Show SMILES CCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC Show InChI InChI=1S/C18H18ClN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Compound was evaluated for its concentration required to inhibit the porcine kidney F16BPase				Bioorg Med Chem Lett 11: 17-21 (2001) BindingDB Entry DOI: 10.7270/Q2HD7W52
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50095261 ((3-Chloro-phenyl)-(6,7-diethoxy-quinazolin-4-yl)-a...) Show SMILES CCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC Show InChI InChI=1S/C18H18ClN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50095261 ((3-Chloro-phenyl)-(6,7-diethoxy-quinazolin-4-yl)-a...) Show SMILES CCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC Show InChI InChI=1S/C18H18ClN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase (Rattus norvegicus)	BDBM50095261 ((3-Chloro-phenyl)-(6,7-diethoxy-quinazolin-4-yl)-a...) Show SMILES CCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC Show InChI InChI=1S/C18H18ClN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Compound was evaluated for its concentration required to inhibit the rat liver F16BPase				Bioorg Med Chem Lett 11: 17-21 (2001) BindingDB Entry DOI: 10.7270/Q2HD7W52
					More data for this Ligand-Target Pair