BDBM50117955 4-[3-(6,7-Diethoxy-quinazolin-4-ylamino)-phenyl]-thiazole-2-carboxylic acid amide::CHEMBL419776

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

InChI Key: InChIKey=JDHKWXHVXJDOJD-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50117955   

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)	BDBM50117955 (4-[3-(6,7-Diethoxy-quinazolin-4-ylamino)-phenyl]-t...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(n3)C(N)=O)c2cc1OCC Show InChI InChI=1S/C22H21N5O3S/c1-3-29-18-9-15-16(10-19(18)30-4-2)24-12-25-21(15)26-14-7-5-6-13(8-14)17-11-31-22(27-17)20(23)28/h5-12H,3-4H2,1-2H3,(H2,23,28)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+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 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)	BDBM50117955 (4-[3-(6,7-Diethoxy-quinazolin-4-ylamino)-phenyl]-t...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(n3)C(N)=O)c2cc1OCC Show InChI InChI=1S/C22H21N5O3S/c1-3-29-18-9-15-16(10-19(18)30-4-2)24-12-25-21(15)26-14-7-5-6-13(8-14)17-11-31-22(27-17)20(23)28/h5-12H,3-4H2,1-2H3,(H2,23,28)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	520	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
Fructose-1,6-bisphosphatase (Rattus norvegicus)	BDBM50117955 (4-[3-(6,7-Diethoxy-quinazolin-4-ylamino)-phenyl]-t...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(n3)C(N)=O)c2cc1OCC Show InChI InChI=1S/C22H21N5O3S/c1-3-29-18-9-15-16(10-19(18)30-4-2)24-12-25-21(15)26-14-7-5-6-13(8-14)17-11-31-22(27-17)20(23)28/h5-12H,3-4H2,1-2H3,(H2,23,28)(H,24,25,26)	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 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)	BDBM50117955 (4-[3-(6,7-Diethoxy-quinazolin-4-ylamino)-phenyl]-t...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(n3)C(N)=O)c2cc1OCC Show InChI InChI=1S/C22H21N5O3S/c1-3-29-18-9-15-16(10-19(18)30-4-2)24-12-25-21(15)26-14-7-5-6-13(8-14)17-11-31-22(27-17)20(23)28/h5-12H,3-4H2,1-2H3,(H2,23,28)(H,24,25,26)	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 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