Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50012361   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50118009 ((6,7-Diethoxy-quinazolin-4-yl)-(3-thiazol-2-yl-phe...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3nccs3)c2cc1OCC Show InChI InChI=1S/C21H20N4O2S/c1-3-26-18-11-16-17(12-19(18)27-4-2)23-13-24-20(16)25-15-7-5-6-14(10-15)21-22-8-9-28-21/h5-13H,3-4H2,1-2H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase				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))	BDBM50117952 ((6,7-Diethoxy-quinazolin-4-yl)-(3-furan-2-yl-pheny...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3ccco3)c2cc1OCC Show InChI InChI=1S/C22H21N3O3/c1-3-26-20-12-17-18(13-21(20)27-4-2)23-14-24-22(17)25-16-8-5-7-15(11-16)19-9-6-10-28-19/h5-14H,3-4H2,1-2H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase				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))	BDBM50095256 ((6,7-Dimethoxy-quinazolin-4-yl)-(3-ethynyl-4-fluor...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(c3)C#C)c2cc1OC Show InChI InChI=1S/C18H14FN3O2/c1-4-11-7-12(5-6-14(11)19)22-18-13-8-16(23-2)17(24-3)9-15(13)20-10-21-18/h1,5-10H,2-3H3,(H,20,21,22)	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	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase				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))	BDBM50117986 ((6,7-Diethoxy-quinazolin-4-yl)-[3-(1H-pyrazol-3-yl...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3cc[nH]n3)c2cc1OCC Show InChI InChI=1S/C21H21N5O2/c1-3-27-19-11-16-18(12-20(19)28-4-2)22-13-23-21(16)25-15-7-5-6-14(10-15)17-8-9-24-26-17/h5-13H,3-4H2,1-2H3,(H,24,26)(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase				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))	BDBM50117983 ((6,7-Diethoxy-quinazolin-4-yl)-(3-thiazol-5-yl-phe...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3cncs3)c2cc1OCC Show InChI InChI=1S/C21H20N4O2S/c1-3-26-18-9-16-17(10-19(18)27-4-2)23-12-24-21(16)25-15-7-5-6-14(8-15)20-11-22-13-28-20/h5-13H,3-4H2,1-2H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase				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))	BDBM50117970 ((6,7-Diethoxy-quinazolin-4-yl)-(3-thiazol-4-yl-phe...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3cscn3)c2cc1OCC Show InChI InChI=1S/C21H20N4O2S/c1-3-26-19-9-16-17(10-20(19)27-4-2)22-12-23-21(16)25-15-7-5-6-14(8-15)18-11-28-13-24-18/h5-13H,3-4H2,1-2H3,(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase				J Med Chem 45: 3865-77 (2002) BindingDB Entry DOI: 10.7270/Q2PN94Z0
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Rattus norvegicus)	BDBM50117957 (CHEMBL123678 | {4-[3-(6,7-Diethoxy-quinazolin-4-yl...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(CO)n3)c2cc1OCC Show InChI InChI=1S/C22H22N4O3S/c1-3-28-19-9-16-17(10-20(19)29-4-2)23-13-24-22(16)25-15-7-5-6-14(8-15)18-12-30-21(11-27)26-18/h5-10,12-13,27H,3-4,11H2,1-2H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	340	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				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50117961 ((6,7-Diethoxy-quinazolin-4-yl)-[3-(1H-[1,2,4]triaz...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3nnc[nH]3)c2cc1OCC Show InChI InChI=1S/C20H20N6O2/c1-3-27-17-9-15-16(10-18(17)28-4-2)21-11-22-20(15)25-14-7-5-6-13(8-14)19-23-12-24-26-19/h5-12H,3-4H2,1-2H3,(H,21,22,25)(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase				J Med Chem 45: 3865-77 (2002) BindingDB Entry DOI: 10.7270/Q2PN94Z0
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50118010 (CHEMBL340660 | [3-(2-Amino-thiazol-4-yl)-phenyl]-(...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(N)n3)c2cc1OCC Show InChI InChI=1S/C21H21N5O2S/c1-3-27-18-9-15-16(10-19(18)28-4-2)23-12-24-20(15)25-14-7-5-6-13(8-14)17-11-29-21(22)26-17/h5-12H,3-4H2,1-2H3,(H2,22,26)(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase				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))	BDBM50117985 ((6,7-Diethoxy-quinazolin-4-yl)-(3-oxazol-4-yl-phen...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3cocn3)c2cc1OCC Show InChI InChI=1S/C21H20N4O3/c1-3-27-19-9-16-17(10-20(19)28-4-2)22-12-23-21(16)25-15-7-5-6-14(8-15)18-11-26-13-24-18/h5-13H,3-4H2,1-2H3,(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase				J Med Chem 45: 3865-77 (2002) BindingDB Entry DOI: 10.7270/Q2PN94Z0
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50117992 ((6,7-Diethoxy-quinazolin-4-yl)-(3-pyrimidin-5-yl-p...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3cncnc3)c2cc1OCC Show InChI InChI=1S/C22H21N5O2/c1-3-28-20-9-18-19(10-21(20)29-4-2)25-14-26-22(18)27-17-7-5-6-15(8-17)16-11-23-13-24-12-16/h5-14H,3-4H2,1-2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase				J Med Chem 45: 3865-77 (2002) BindingDB Entry DOI: 10.7270/Q2PN94Z0
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Rattus norvegicus)	BDBM50117957 (CHEMBL123678 | {4-[3-(6,7-Diethoxy-quinazolin-4-yl...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(CO)n3)c2cc1OCC Show InChI InChI=1S/C22H22N4O3S/c1-3-28-19-9-16-17(10-20(19)29-4-2)23-13-24-22(16)25-15-7-5-6-14(8-15)18-12-30-21(11-27)26-18/h5-10,12-13,27H,3-4,11H2,1-2H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	2.90E+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				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1 (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 1 (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
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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50117960 ((6,7-Diethoxy-2-methyl-quinazolin-4-yl)-[3-(2-meth...) Show SMILES CCOc1cc2nc(C)nc(Nc3cccc(c3)-c3csc(C)n3)c2cc1OCC Show InChI InChI=1S/C23H24N4O2S/c1-5-28-21-11-18-19(12-22(21)29-6-2)24-14(3)25-23(18)27-17-9-7-8-16(10-17)20-13-30-15(4)26-20/h7-13H,5-6H2,1-4H3,(H,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase				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))	BDBM50117940 ((6,7-Diethoxy-2-ethyl-quinazolin-4-yl)-[3-(2-methy...) Show SMILES CCOc1cc2nc(CC)nc(Nc3cccc(c3)-c3csc(C)n3)c2cc1OCC Show InChI InChI=1S/C24H26N4O2S/c1-5-23-27-19-13-22(30-7-3)21(29-6-2)12-18(19)24(28-23)26-17-10-8-9-16(11-17)20-14-31-15(4)25-20/h8-14H,5-7H2,1-4H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase				J Med Chem 45: 3865-77 (2002) BindingDB Entry DOI: 10.7270/Q2PN94Z0
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Rattus norvegicus)	BDBM50117989 (4-[3-(2-Dimethylaminomethyl-6,7-diethoxy-quinazoli...) Show SMILES CCOc1cc2nc(CN(C)C)nc(Nc3cccc(c3)-c3csc(n3)C(N)=O)c2cc1OCC Show InChI InChI=1S/C25H28N6O3S/c1-5-33-20-11-17-18(12-21(20)34-6-2)28-22(13-31(3)4)30-24(17)27-16-9-7-8-15(10-16)19-14-35-25(29-19)23(26)32/h7-12,14H,5-6,13H2,1-4H3,(H2,26,32)(H,27,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.50E+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 recombinant wild type pig enzyme (F16BP) Fructose-1,6-bisphosphatase				J Med Chem 45: 3865-77 (2002) BindingDB Entry DOI: 10.7270/Q2PN94Z0
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (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 1 (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
Fructose-1,6-bisphosphatase 1 (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 1 (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
Fructose-1,6-bisphosphatase 1 (Rattus norvegicus)	BDBM50117957 (CHEMBL123678 | {4-[3-(6,7-Diethoxy-quinazolin-4-yl...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(CO)n3)c2cc1OCC Show InChI InChI=1S/C22H22N4O3S/c1-3-28-19-9-16-17(10-20(19)29-4-2)23-13-24-22(16)25-15-7-5-6-14(8-15)18-12-30-21(11-27)26-18/h5-10,12-13,27H,3-4,11H2,1-2H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB 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				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1 (Rattus norvegicus)	BDBM50117957 (CHEMBL123678 | {4-[3-(6,7-Diethoxy-quinazolin-4-yl...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(CO)n3)c2cc1OCC Show InChI InChI=1S/C22H22N4O3S/c1-3-28-19-9-16-17(10-20(19)29-4-2)23-13-24-22(16)25-15-7-5-6-14(8-15)18-12-30-21(11-27)26-18/h5-10,12-13,27H,3-4,11H2,1-2H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB 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				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50117984 ((6,7-Diethoxy-quinazolin-4-yl)-[3-(2-methyl-oxazol...) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3cnc(C)o3)c2cc1OCC Show InChI InChI=1S/C22H22N4O3/c1-4-27-19-10-17-18(11-20(19)28-5-2)24-13-25-22(17)26-16-8-6-7-15(9-16)21-12-23-14(3)29-21/h6-13H,4-5H2,1-3H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase				J Med Chem 45: 3865-77 (2002) BindingDB Entry DOI: 10.7270/Q2PN94Z0
					More data for this Ligand-Target Pair