Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'qiyu' and Initial = 'q'   

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))	BDBM50188463 (4-[(3-chlorophenyl)amino]-6-(methylamino)quinazoli...) Show SMILES CNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C15H13ClN4/c1-17-11-5-6-14-13(8-11)15(19-9-18-14)20-12-4-2-3-10(16)7-12/h2-9,17H,1H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3535 (4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diam...) Show SMILES CNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C15H13BrN4/c1-17-11-5-6-14-13(8-11)15(19-9-18-14)20-12-4-2-3-10(16)7-12/h2-9,17H,1H3,(H,18,19,20)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50188464 (4-[(3-methylphenyl)amino]-6-(methylamino)quinazoli...) Show SMILES CNc1ccc2ncnc(Nc3cccc(C)c3)c2c1 Show InChI InChI=1S/C16H16N4/c1-11-4-3-5-13(8-11)20-16-14-9-12(17-2)6-7-15(14)18-10-19-16/h3-10,17H,1-2H3,(H,18,19,20)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50188456 (1-(2-chloroethyl)-3-{[4-(3-bromophenyl)amino]quina...) Show SMILES ClCCNC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C17H15BrClN5O/c18-11-2-1-3-12(8-11)23-16-14-9-13(24-17(25)20-7-6-19)4-5-15(14)21-10-22-16/h1-5,8-10H,6-7H2,(H2,20,24,25)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50188461 (1-(2-chloroethyl)-3-{[4-(3-chlorophenyl)amino]quin...) Show SMILES ClCCNC(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C17H15Cl2N5O/c18-6-7-20-17(25)24-13-4-5-15-14(9-13)16(22-10-21-15)23-12-3-1-2-11(19)8-12/h1-5,8-10H,6-7H2,(H2,20,24,25)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50188468 (1-(2-chloroethyl)-1-nitroso-3-{[4-(3-bromophenyl)a...) Show SMILES ClCCN(N=O)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C17H14BrClN6O2/c18-11-2-1-3-12(8-11)22-16-14-9-13(4-5-15(14)20-10-21-16)23-17(26)25(24-27)7-6-19/h1-5,8-10H,6-7H2,(H,23,26)(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	47	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50188466 (1-(2-Chloroethyl)-1-nitroso-3-{[4-(3-chlorophenyl)...) Show SMILES ClCCN(N=O)C(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C17H14Cl2N6O2/c18-6-7-25(24-27)17(26)23-13-4-5-15-14(9-13)16(21-10-20-15)22-12-3-1-2-11(19)8-12/h1-5,8-10H,6-7H2,(H,23,26)(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	67	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50188459 (3-(2-chloroethyl)-1-methyl-1-{[4-(3-chlorophenyl)a...) Show SMILES CN(CCCl)C(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C18H17Cl2N5O/c1-25(8-7-19)18(26)24-14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(20)9-13/h2-6,9-11H,7-8H2,1H3,(H,24,26)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50188462 (3-(2-chloroethyl)-1-methyl-1-{[4-(3-bromophenyl)am...) Show SMILES CN(CCCl)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C18H17BrClN5O/c1-25(8-7-20)18(26)24-14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(19)9-13/h2-6,9-11H,7-8H2,1H3,(H,24,26)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM3535 (4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diam...) Show SMILES CNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C15H13BrN4/c1-17-11-5-6-14-13(8-11)15(19-9-18-14)20-12-4-2-3-10(16)7-12/h2-9,17H,1H3,(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50133382 (Anilinoquinazoline, 4c | CHEMBL343352 | N*4*-(3-Ch...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C14H11ClN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50188458 (1-(2-chloroethyl)-1-nitroso-3-methyl-3-{[4-(3-chlo...) Show SMILES CN(C(=O)N(CCCl)N=O)c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C18H16Cl2N6O2/c1-25(18(27)26(24-28)8-7-19)14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(20)9-13/h2-6,9-11H,7-8H2,1H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50188457 (1-(2-chloroethyl)-1-nitroso-3-methyl-3-{[4-(3-brom...) Show SMILES CN(C(=O)N(CCCl)N=O)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C18H16BrClN6O2/c1-25(18(27)26(24-28)8-7-20)14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(19)9-13/h2-6,9-11H,7-8H2,1H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	294	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50188465 (1-(2-chloroethyl)-3-{[4-(3-methylphenyl)amino]quin...) Show SMILES Cc1cccc(Nc2ncnc3ccc(NC(=O)NCCCl)cc23)c1 Show InChI InChI=1S/C18H18ClN5O/c1-12-3-2-4-13(9-12)23-17-15-10-14(24-18(25)20-8-7-19)5-6-16(15)21-11-22-17/h2-6,9-11H,7-8H2,1H3,(H2,20,24,25)(H,21,22,23)	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	676	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50188458 (1-(2-chloroethyl)-1-nitroso-3-methyl-3-{[4-(3-chlo...) Show SMILES CN(C(=O)N(CCCl)N=O)c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C18H16Cl2N6O2/c1-25(18(27)26(24-28)8-7-19)14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(20)9-13/h2-6,9-11H,7-8H2,1H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50188463 (4-[(3-chlorophenyl)amino]-6-(methylamino)quinazoli...) Show SMILES CNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C15H13ClN4/c1-17-11-5-6-14-13(8-11)15(19-9-18-14)20-12-4-2-3-10(16)7-12/h2-9,17H,1H3,(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50133384 (Anilinoquinazoline, 4a | CHEMBL336113 | N*4*-m-Tol...) Show SMILES Cc1cccc(Nc2ncnc3ccc(N)cc23)c1 Show InChI InChI=1S/C15H14N4/c1-10-3-2-4-12(7-10)19-15-13-8-11(16)5-6-14(13)17-9-18-15/h2-9H,16H2,1H3,(H,17,18,19)	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50188460 (1-(2-Chloroethyl)-1-nitroso-3-{[4-(3-methylphenyl)...) Show SMILES Cc1cccc(Nc2ncnc3ccc(NC(=O)N(CCCl)N=O)cc23)c1 Show InChI InChI=1S/C18H17ClN6O2/c1-12-3-2-4-13(9-12)22-17-15-10-14(5-6-16(15)20-11-21-17)23-18(26)25(24-27)8-7-19/h2-6,9-11H,7-8H2,1H3,(H,23,26)(H,20,21,22)	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	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50188467 (1-(2-chloroethyl)-1-nitroso-3-methyl-3-{[4-(3-meth...) Show SMILES CN(C(=O)N(CCCl)N=O)c1ccc2ncnc(Nc3cccc(C)c3)c2c1 Show InChI InChI=1S/C19H19ClN6O2/c1-13-4-3-5-14(10-13)23-18-16-11-15(6-7-17(16)21-12-22-18)25(2)19(27)26(24-28)9-8-20/h3-7,10-12H,8-9H2,1-2H3,(H,21,22,23)	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	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50188468 (1-(2-chloroethyl)-1-nitroso-3-{[4-(3-bromophenyl)a...) Show SMILES ClCCN(N=O)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C17H14BrClN6O2/c18-11-2-1-3-12(8-11)22-16-14-9-13(4-5-15(14)20-10-21-16)23-17(26)25(24-27)7-6-19/h1-5,8-10H,6-7H2,(H,23,26)(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50188461 (1-(2-chloroethyl)-3-{[4-(3-chlorophenyl)amino]quin...) Show SMILES ClCCNC(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C17H15Cl2N5O/c18-6-7-20-17(25)24-13-4-5-15-14(9-13)16(22-10-21-15)23-12-3-1-2-11(19)8-12/h1-5,8-10H,6-7H2,(H2,20,24,25)(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50188455 (3-(2-chloroethyl)-1-methyl-1-{[4-(3-methylphenyl)a...) Show SMILES CN(CCCl)C(=O)Nc1ccc2ncnc(Nc3cccc(C)c3)c2c1 Show InChI InChI=1S/C19H20ClN5O/c1-13-4-3-5-14(10-13)23-18-16-11-15(6-7-17(16)21-12-22-18)24-19(26)25(2)9-8-20/h3-7,10-12H,8-9H2,1-2H3,(H,24,26)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50188456 (1-(2-chloroethyl)-3-{[4-(3-bromophenyl)amino]quina...) Show SMILES ClCCNC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C17H15BrClN5O/c18-11-2-1-3-12(8-11)23-16-14-9-13(24-17(25)20-7-6-19)4-5-15(14)21-10-22-16/h1-5,8-10H,6-7H2,(H2,20,24,25)(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50188464 (4-[(3-methylphenyl)amino]-6-(methylamino)quinazoli...) Show SMILES CNc1ccc2ncnc(Nc3cccc(C)c3)c2c1 Show InChI InChI=1S/C16H16N4/c1-11-4-3-5-13(8-11)20-16-14-9-12(17-2)6-7-15(14)18-10-19-16/h3-10,17H,1-2H3,(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50188465 (1-(2-chloroethyl)-3-{[4-(3-methylphenyl)amino]quin...) Show SMILES Cc1cccc(Nc2ncnc3ccc(NC(=O)NCCCl)cc23)c1 Show InChI InChI=1S/C18H18ClN5O/c1-12-3-2-4-13(9-12)23-17-15-10-14(24-18(25)20-8-7-19)5-6-16(15)21-11-22-17/h2-6,9-11H,7-8H2,1H3,(H2,20,24,25)(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50188457 (1-(2-chloroethyl)-1-nitroso-3-methyl-3-{[4-(3-brom...) Show SMILES CN(C(=O)N(CCCl)N=O)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C18H16BrClN6O2/c1-25(18(27)26(24-28)8-7-20)14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(19)9-13/h2-6,9-11H,7-8H2,1H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50133382 (Anilinoquinazoline, 4c | CHEMBL343352 | N*4*-(3-Ch...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C14H11ClN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50188466 (1-(2-Chloroethyl)-1-nitroso-3-{[4-(3-chlorophenyl)...) Show SMILES ClCCN(N=O)C(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C17H14Cl2N6O2/c18-6-7-25(24-27)17(26)23-13-4-5-15-14(9-13)16(21-10-20-15)22-12-3-1-2-11(19)8-12/h1-5,8-10H,6-7H2,(H,23,26)(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50133384 (Anilinoquinazoline, 4a | CHEMBL336113 | N*4*-m-Tol...) Show SMILES Cc1cccc(Nc2ncnc3ccc(N)cc23)c1 Show InChI InChI=1S/C15H14N4/c1-10-3-2-4-12(7-10)19-15-13-8-11(16)5-6-14(13)17-9-18-15/h2-9H,16H2,1H3,(H,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50188467 (1-(2-chloroethyl)-1-nitroso-3-methyl-3-{[4-(3-meth...) Show SMILES CN(C(=O)N(CCCl)N=O)c1ccc2ncnc(Nc3cccc(C)c3)c2c1 Show InChI InChI=1S/C19H19ClN6O2/c1-13-4-3-5-14(10-13)23-18-16-11-15(6-7-17(16)21-12-22-18)25(2)19(27)26(24-28)9-8-20/h3-7,10-12H,8-9H2,1-2H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50188462 (3-(2-chloroethyl)-1-methyl-1-{[4-(3-bromophenyl)am...) Show SMILES CN(CCCl)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C18H17BrClN5O/c1-25(8-7-20)18(26)24-14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(19)9-13/h2-6,9-11H,7-8H2,1H3,(H,24,26)(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50188455 (3-(2-chloroethyl)-1-methyl-1-{[4-(3-methylphenyl)a...) Show SMILES CN(CCCl)C(=O)Nc1ccc2ncnc(Nc3cccc(C)c3)c2c1 Show InChI InChI=1S/C19H20ClN5O/c1-13-4-3-5-14(10-13)23-18-16-11-15(6-7-17(16)21-12-22-18)24-19(26)25(2)9-8-20/h3-7,10-12H,8-9H2,1-2H3,(H,24,26)(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50188460 (1-(2-Chloroethyl)-1-nitroso-3-{[4-(3-methylphenyl)...) Show SMILES Cc1cccc(Nc2ncnc3ccc(NC(=O)N(CCCl)N=O)cc23)c1 Show InChI InChI=1S/C18H17ClN6O2/c1-12-3-2-4-13(9-12)22-17-15-10-14(5-6-16(15)20-11-21-17)23-18(26)25(24-27)8-7-19/h2-6,9-11H,7-8H2,1H3,(H,23,26)(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50188459 (3-(2-chloroethyl)-1-methyl-1-{[4-(3-chlorophenyl)a...) Show SMILES CN(CCCl)C(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C18H17Cl2N5O/c1-25(8-7-19)18(26)24-14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(20)9-13/h2-6,9-11H,7-8H2,1H3,(H,24,26)(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair