Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 647   

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))	BDBM4780 (4-Anilinopyrido[3,4-d]pyrimidine 7 | N-[4-(3-Bromo...) Show SMILES CN(C(=O)C=C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C17H14BrN5O/c1-3-16(24)23(2)15-8-13-14(9-19-15)20-10-21-17(13)22-12-6-4-5-11(18)7-12/h3-10H,1H2,2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4791 ((2E)-3-({4-[(3-bromophenyl)amino]quinazolin-6-yl}c...) Show SMILES OC(=O)\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C18H13BrN4O3/c19-11-2-1-3-12(8-11)23-18-14-9-13(4-5-15(14)20-10-21-18)22-16(24)6-7-17(25)26/h1-10H,(H,22,24)(H,25,26)(H,20,21,23)/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4808 (4-Anilinopyrido[3,4-d]pyrimidine 35 | N-(3-Bromoph...) Show SMILES Brc1cccc(Nc2ncnc3cnc(cc23)S(=O)(=O)C=C)c1 Show InChI InChI=1S/C15H11BrN4O2S/c1-2-23(21,22)14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h2-9H,1H2,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4798 ((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-N...) Show SMILES CN(C)CCCNC(=O)\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C23H25BrN6O2/c1-30(2)12-4-11-25-21(31)9-10-22(32)28-18-7-8-20-19(14-18)23(27-15-26-20)29-17-6-3-5-16(24)13-17/h3,5-10,13-15H,4,11-12H2,1-2H3,(H,25,31)(H,28,32)(H,26,27,29)/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4783 ((2E)-N-[4-(3-Bromoanilino)pyrido[3,4-d]pyrimidin-6...) Show SMILES C\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C17H14BrN5O/c1-2-4-16(24)23-15-8-13-14(9-19-15)20-10-21-17(13)22-12-6-3-5-11(18)7-12/h2-10H,1H3,(H,19,23,24)(H,20,21,22)/b4-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4596 ((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}bu...) Show SMILES C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C18H15BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h2-11H,1H3,(H,22,24)(H,20,21,23)/b4-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4802 ((2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrim...) Show SMILES Brc1cccc(Nc2ncnc3cnc(NC(=O)\C=C\C(=O)NCCCn4ccnc4)cc23)c1 Show InChI InChI=1S/C23H21BrN8O2/c24-16-3-1-4-17(11-16)30-23-18-12-20(27-13-19(18)28-14-29-23)31-22(34)6-5-21(33)26-7-2-9-32-10-8-25-15-32/h1,3-6,8,10-15H,2,7,9H2,(H,26,33)(H,27,31,34)(H,28,29,30)/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4804 ((2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3...) Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)\C=C\C(=O)NCCCN4CCOCC4)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN7O3/c25-18-12-16(2-3-19(18)26)31-24-17-13-21(28-14-20(17)29-15-30-24)32-23(35)5-4-22(34)27-6-1-7-33-8-10-36-11-9-33/h2-5,12-15H,1,6-11H2,(H,27,34)(H,28,32,35)(H,29,30,31)/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4785 ((2Z)-N-[4-(3-Bromoanilino)-6-pyrido[3,4-d]pyrimidi...) Show SMILES Cl\C=C/C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C16H11BrClN5O/c17-10-2-1-3-11(6-10)22-16-12-7-14(23-15(24)4-5-18)19-8-13(12)20-9-21-16/h1-9H,(H,19,23,24)(H,20,21,22)/b5-4-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4567 (4-anilinoquinazoline deriv. 2 | BMC163482 Compound...) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4800 ((2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrim...) Show SMILES CCN(CC)CCCNC(=O)\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C24H28BrN7O2/c1-3-32(4-2)12-6-11-26-22(33)9-10-23(34)31-21-14-19-20(15-27-21)28-16-29-24(19)30-18-8-5-7-17(25)13-18/h5,7-10,13-16H,3-4,6,11-12H2,1-2H3,(H,26,33)(H,27,31,34)(H,28,29,30)/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4805 (4-Anilinopyrido[3,4-d]pyrimidine 32 | N-[4-(3-Brom...) Show SMILES Brc1cccc(Nc2ncnc3cnc(NS(=O)(=O)C=C)cc23)c1 Show InChI InChI=1S/C15H12BrN5O2S/c1-2-24(22,23)21-14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h2-9H,1H2,(H,17,21)(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4801 ((2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrim...) Show SMILES Brc1cccc(Nc2ncnc3cnc(NC(=O)\C=C\C(=O)NCCCN4CCOCC4)cc23)c1 Show InChI InChI=1S/C24H26BrN7O3/c25-17-3-1-4-18(13-17)30-24-19-14-21(27-15-20(19)28-16-29-24)31-23(34)6-5-22(33)26-7-2-8-32-9-11-35-12-10-32/h1,3-6,13-16H,2,7-12H2,(H,26,33)(H,27,31,34)(H,28,29,30)/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4777 (4-Anilinopyrido[3,4-d]pyrimidine 3 | CHEMBL51659 |...) Show SMILES Brc1cccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C16H12BrN5O/c1-2-15(23)22-14-7-12-13(8-18-14)19-9-20-16(12)21-11-5-3-4-10(17)6-11/h2-9H,1H2,(H,18,22,23)(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4799 ((2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrim...) Show SMILES CN(C)CCCNC(=O)\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C22H24BrN7O2/c1-30(2)10-4-9-24-20(31)7-8-21(32)29-19-12-17-18(13-25-19)26-14-27-22(17)28-16-6-3-5-15(23)11-16/h3,5-8,11-14H,4,9-10H2,1-2H3,(H,24,31)(H,25,29,32)(H,26,27,28)/b8-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4787 ((2E)-N-[4-(3-Bromoanilino)pyrido[3,4-d]pyrimidin-6...) Show SMILES Brc1cccc(Nc2ncnc3cnc(NC(=O)\C=C\C=C)cc23)c1 Show InChI InChI=1S/C18H14BrN5O/c1-2-3-7-17(25)24-16-9-14-15(10-20-16)21-11-22-18(14)23-13-6-4-5-12(19)8-13/h2-11H,1H2,(H,20,24,25)(H,21,22,23)/b7-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4790 ((2E)-N-[4-(3-Bromoanilino)-6-quinazolinyl]-4-oxo-2...) Show SMILES CC(=O)C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |w:4.4| Show InChI InChI=1S/C19H15BrN4O2/c1-12(25)5-8-18(26)23-15-6-7-17-16(10-15)19(22-11-21-17)24-14-4-2-3-13(20)9-14/h2-11H,1H3,(H,23,26)(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4595 (4-anilinoquinazoline deriv. 17 | 6-Substituted 4-A...) Show SMILES CC(=C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C18H15BrN4O/c1-11(2)18(24)23-14-6-7-16-15(9-14)17(21-10-20-16)22-13-5-3-4-12(19)8-13/h3-10H,1H2,2H3,(H,23,24)(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4806 (6-Substituted 4-Anilinoquinazoline 33 | N-[4-(3-Br...) Show SMILES Brc1cccc(Nc2ncnc3ccc(NS(=O)(=O)C=C)cc23)c1 Show InChI InChI=1S/C16H13BrN4O2S/c1-2-24(22,23)21-13-6-7-15-14(9-13)16(19-10-18-15)20-12-5-3-4-11(17)8-12/h2-10,21H,1H2,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4803 ((2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrim...) Show SMILES CN(C)CCCNC(=O)\C=C\C(=O)N(C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C23H26BrN7O2/c1-30(2)11-5-10-25-21(32)8-9-22(33)31(3)20-13-18-19(14-26-20)27-15-28-23(18)29-17-7-4-6-16(24)12-17/h4,6-9,12-15H,5,10-11H2,1-3H3,(H,25,32)(H,27,28,29)/b9-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4779 (CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4793 (4-Anilinopyrido[3,4-d]pyrimidine 20 | Ethyl (2E)-4...) Show SMILES CCOC(=O)\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C19H16BrN5O3/c1-2-28-18(27)7-6-17(26)25-16-9-14-15(10-21-16)22-11-23-19(14)24-13-5-3-4-12(20)8-13/h3-11H,2H2,1H3,(H,21,25,26)(H,22,23,24)/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4781 (4-Anilinopyrido[3,4-d]pyrimidine 8 | N-[4-(3-Bromo...) Show SMILES CC(=C)C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C17H14BrN5O/c1-10(2)17(24)23-15-7-13-14(8-19-15)20-9-21-16(13)22-12-5-3-4-11(18)6-12/h3-9H,1H2,2H3,(H,19,23,24)(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4788 (6-Substituted 4-Anilinoquinazoline 15 | N-[4-(3-Br...) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C=C)cc23)c1 Show InChI InChI=1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3-11H,1H2,(H,22,24)(H,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4786 ((2E)-N-[4-(3-Bromoanilino)-6-quinazolinyl]-4,4,4-t...) Show SMILES FC(F)(F)\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C18H12BrF3N4O/c19-11-2-1-3-12(8-11)26-17-14-9-13(4-5-15(14)23-10-24-17)25-16(27)6-7-18(20,21)22/h1-10H,(H,25,27)(H,23,24,26)/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4797 (3-(Dimethylamino)propyl (2E)-4-{[4-(3-Bromoanilino...) Show SMILES CN(C)CCCOC(=O)\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C23H24BrN5O3/c1-29(2)11-4-12-32-22(31)10-9-21(30)27-18-7-8-20-19(14-18)23(26-15-25-20)28-17-6-3-5-16(24)13-17/h3,5-10,13-15H,4,11-12H2,1-2H3,(H,27,30)(H,25,26,28)/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4795 (4-Anilinopyrido[3,4-d]pyrimidine 22 | N-[4-(3-Brom...) Show SMILES Brc1cccc(Nc2ncnc3cnc(cc23)N(CCCN2CCOCC2)C(=O)C=C)c1 Show InChI InChI=1S/C23H25BrN6O2/c1-2-22(31)30(8-4-7-29-9-11-32-12-10-29)21-14-19-20(15-25-21)26-16-27-23(19)28-18-6-3-5-17(24)13-18/h2-3,5-6,13-16H,1,4,7-12H2,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4792 (6-Substituted 4-Anilinoquinazoline 19 | Ethyl (2E)...) Show SMILES CCOC(=O)\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C20H17BrN4O3/c1-2-28-19(27)9-8-18(26)24-15-6-7-17-16(11-15)20(23-12-22-17)25-14-5-3-4-13(21)10-14/h3-12H,2H2,1H3,(H,24,26)(H,22,23,25)/b9-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4796 (6-Substituted 4-Anilinoquinazoline 23 | N-[4-(3-Br...) Show SMILES Brc1cccc(Nc2ncnc3ccc(cc23)N(CCCN2CCOCC2)C(=O)C=C)c1 Show InChI InChI=1S/C24H26BrN5O2/c1-2-23(31)30(10-4-9-29-11-13-32-14-12-29)20-7-8-22-21(16-20)24(27-17-26-22)28-19-6-3-5-18(25)15-19/h2-3,5-8,15-17H,1,4,9-14H2,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4794 (4-Anilinopyrido[3,4-d]pyrimidine 21 | N-[4-(3-Brom...) Show SMILES CN(C)CCN(C(=O)C=C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C20H21BrN6O/c1-4-19(28)27(9-8-26(2)3)18-11-16-17(12-22-18)23-13-24-20(16)25-15-7-5-6-14(21)10-15/h4-7,10-13H,1,8-9H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4809 (4-Anilinopyrido[3,4-d]pyrimidine 36 | N-(3-Bromoph...) Show SMILES Brc1cccc(Nc2ncnc3cnc(cc23)S(=O)C=C)c1 Show InChI InChI=1S/C15H11BrN4OS/c1-2-22(21)14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h2-9H,1H2,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4789 ((2E)-N-[4-(3-Bromoanilino)pyrido[3,4-d]pyrimidin-6...) Show SMILES Brc1cccc(Nc2ncnc3cnc(NC(=O)\C=C\c4ccccc4)cc23)c1 Show InChI InChI=1S/C22H16BrN5O/c23-16-7-4-8-17(11-16)27-22-18-12-20(24-13-19(18)25-14-26-22)28-21(29)10-9-15-5-2-1-3-6-15/h1-14H,(H,24,28,29)(H,25,26,27)/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4807 (2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin...) Show SMILES OCCS(=O)(=O)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C15H13BrN4O3S/c16-10-2-1-3-11(6-10)20-15-12-7-14(24(22,23)5-4-21)17-8-13(12)18-9-19-15/h1-3,6-9,21H,4-5H2,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	93.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair