BDBM50117947 (6,7-Diethoxy-quinazolin-4-yl)-[3-(2-methyl-thiazol-4-yl)-phenyl]-amine::CHEMBL126456

SMILES: CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(C)n3)c2cc1OCC

InChI Key: InChIKey=IMZBSZFOSHTOBQ-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 = 50117947   

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 (Rattus norvegicus)	BDBM50117947 ((6,7-Diethoxy-quinazolin-4-yl)-[3-(2-methyl-thiazo...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(C)n3)c2cc1OCC Show InChI InChI=1S/C22H22N4O2S/c1-4-27-20-10-17-18(11-21(20)28-5-2)23-13-24-22(17)26-16-8-6-7-15(9-16)19-12-29-14(3)25-19/h6-13H,4-5H2,1-3H3,(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat single mutant(Gln55His) enzyme using malachite green ass...				J Med Chem 45: 3865-77 (2002) BindingDB Entry DOI: 10.7270/Q2PN94Z0
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase (Rattus norvegicus)	BDBM50117947 ((6,7-Diethoxy-quinazolin-4-yl)-[3-(2-methyl-thiazo...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(C)n3)c2cc1OCC Show InChI InChI=1S/C22H22N4O2S/c1-4-27-20-10-17-18(11-21(20)28-5-2)23-13-24-22(17)26-16-8-6-7-15(9-16)19-12-29-14(3)25-19/h6-13H,4-5H2,1-3H3,(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat single mutant (Gln50Lys) enzyme using malachite green as...				J Med Chem 45: 3865-77 (2002) BindingDB Entry DOI: 10.7270/Q2PN94Z0
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase (Rattus norvegicus)	BDBM50117947 ((6,7-Diethoxy-quinazolin-4-yl)-[3-(2-methyl-thiazo...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(C)n3)c2cc1OCC Show InChI InChI=1S/C22H22N4O2S/c1-4-27-20-10-17-18(11-21(20)28-5-2)23-13-24-22(17)26-16-8-6-7-15(9-16)19-12-29-14(3)25-19/h6-13H,4-5H2,1-3H3,(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat wild type enzyme using malachite green assay				J Med Chem 45: 3865-77 (2002) BindingDB Entry DOI: 10.7270/Q2PN94Z0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50117947 ((6,7-Diethoxy-quinazolin-4-yl)-[3-(2-methyl-thiazo...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(C)n3)c2cc1OCC Show InChI InChI=1S/C22H22N4O2S/c1-4-27-20-10-17-18(11-21(20)28-5-2)23-13-24-22(17)26-16-8-6-7-15(9-16)19-12-29-14(3)25-19/h6-13H,4-5H2,1-3H3,(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Inhibition of Epidermal growth factor receptor				J Med Chem 45: 3865-77 (2002) BindingDB Entry DOI: 10.7270/Q2PN94Z0
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase (Rattus norvegicus)	BDBM50117947 ((6,7-Diethoxy-quinazolin-4-yl)-[3-(2-methyl-thiazo...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(C)n3)c2cc1OCC Show InChI InChI=1S/C22H22N4O2S/c1-4-27-20-10-17-18(11-21(20)28-5-2)23-13-24-22(17)26-16-8-6-7-15(9-16)19-12-29-14(3)25-19/h6-13H,4-5H2,1-3H3,(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat double mutant (Gln50Lys Gln55His) enzyme using malachite...				J Med Chem 45: 3865-77 (2002) BindingDB Entry DOI: 10.7270/Q2PN94Z0
					More data for this Ligand-Target Pair