Compile Data Set for Download or QSAR

Found 738 hits with Last Name = 'roberts' and Initial = 'bj'   

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))	BDBM3604 (4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]p...) Show SMILES CN(C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C15H14BrN5/c1-21(2)14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h3-9H,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	0.00600	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 41: 742-51 (1998) Article DOI: 10.1021/jm970641d BindingDB Entry DOI: 10.7270/Q2DB800T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3603 (4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimid...) Show SMILES CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C14H12BrN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20)	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	0.00800	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 41: 742-51 (1998) Article DOI: 10.1021/jm970641d BindingDB Entry DOI: 10.7270/Q2DB800T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3595 (4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]p...) Show SMILES CN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C15H14BrN5/c1-21(2)14-7-13-12(8-17-14)15(19-9-18-13)20-11-5-3-4-10(16)6-11/h3-9H,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	0.0900	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3594 (4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimid...) Show SMILES CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C14H12BrN5/c1-16-13-6-12-11(7-17-13)14(19-8-18-12)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(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	0.130	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3600 (4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-dia...) Show SMILES Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C13H10BrN5/c14-8-2-1-3-9(4-8)19-13-10-5-12(15)16-6-11(10)17-7-18-13/h1-7H,(H2,15,16)(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	0.130	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 41: 742-51 (1998) Article DOI: 10.1021/jm970641d BindingDB Entry DOI: 10.7270/Q2DB800T
					More data for this Ligand-Target Pair
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))	BDBM3702 (3-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin...) Show SMILES OCC(O)CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C16H16BrN5O2/c17-10-2-1-3-11(4-10)22-16-13-5-15(18-6-12(24)8-23)19-7-14(13)20-9-21-16/h1-5,7,9,12,23-24H,6,8H2,(H,18,19)(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	0.180	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 41: 742-51 (1998) Article DOI: 10.1021/jm970641d BindingDB Entry DOI: 10.7270/Q2DB800T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3700 (2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin...) Show SMILES OCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C15H14BrN5O/c16-10-2-1-3-11(6-10)21-15-12-7-14(17-4-5-22)18-8-13(12)19-9-20-15/h1-3,6-9,22H,4-5H2,(H,17,18)(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 41: 742-51 (1998) Article DOI: 10.1021/jm970641d BindingDB Entry DOI: 10.7270/Q2DB800T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3724 (4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimi...) Show SMILES CNc1cc2c(Nc3cccc(Cl)c3)ncnc2cn1 Show InChI InChI=1S/C14H12ClN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(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	0.190	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 41: 742-51 (1998) Article DOI: 10.1021/jm970641d BindingDB Entry DOI: 10.7270/Q2DB800T
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477513 (CHEMBL392246) Show SMILES C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:27| Show InChI InChI=1S/C21H20F2N4O4/c1-11(25-20(30)18(28)13-7-14(22)9-15(23)8-13)19(29)26-17-16-6-4-3-5-12(16)10-24-27(2)21(17)31/h3-11,17-18,28H,1-2H3,(H,25,30)(H,26,29)/t11-,17?,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4566 (4-anilinoquinazoline deriv. 1 | CHEMBL91867 | N-{4...) Show SMILES CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 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/h3,5-11H,1H3,(H,22,24)(H,20,21,23)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of erbB1 fusion protein expressed in baculovirus by ELISA				J Med Chem 49: 1475-85 (2006) Article DOI: 10.1021/jm050936o BindingDB Entry DOI: 10.7270/Q2ZS2X96
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3701 (2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin...) Show SMILES CN(CCO)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C16H16BrN5O/c1-22(5-6-23)15-8-13-14(9-18-15)19-10-20-16(13)21-12-4-2-3-11(17)7-12/h2-4,7-10,23H,5-6H2,1H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 41: 742-51 (1998) Article DOI: 10.1021/jm970641d BindingDB Entry DOI: 10.7270/Q2DB800T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3646 (2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES OCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C15H14BrN5O/c16-10-2-1-3-11(6-10)21-15-12-8-18-14(17-4-5-22)7-13(12)19-9-20-15/h1-3,6-9,22H,4-5H2,(H,17,18)(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077239 (CHEMBL52913 | N-[4-(3-Chloro-phenylamino)-quinazol...) Show SMILES Clc1cccc(Nc2ncnc3cc(NC(=O)C=C)ccc23)c1 Show InChI InChI=1S/C17H13ClN4O/c1-2-16(23)21-13-6-7-14-15(9-13)19-10-20-17(14)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	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3722 (3-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin...) Show SMILES OC(=O)CCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C16H14BrN5O2/c17-10-2-1-3-11(6-10)22-16-12-7-14(18-5-4-15(23)24)19-8-13(12)20-9-21-16/h1-3,6-9H,4-5H2,(H,18,19)(H,23,24)(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 41: 742-51 (1998) Article DOI: 10.1021/jm970641d BindingDB Entry DOI: 10.7270/Q2DB800T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3671 (4-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES OC(=O)CCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C17H16BrN5O2/c18-11-3-1-4-12(7-11)23-17-13-9-20-15(8-14(13)21-10-22-17)19-6-2-5-16(24)25/h1,3-4,7-10H,2,5-6H2,(H,19,20)(H,24,25)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3720 (2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin...) Show SMILES OC(=O)CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C15H12BrN5O2/c16-9-2-1-3-10(4-9)21-15-11-5-13(18-7-14(22)23)17-6-12(11)19-8-20-15/h1-6,8H,7H2,(H,17,18)(H,22,23)(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 41: 742-51 (1998) Article DOI: 10.1021/jm970641d BindingDB Entry DOI: 10.7270/Q2DB800T
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477516 (BMS-433796 | CHEMBL247361) Show SMILES C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2C=NN(C)C1=O |r,c:27| Show InChI InChI=1S/C21H20F2N4O4/c1-11(25-20(30)18(28)13-7-14(22)9-15(23)8-13)19(29)26-17-16-6-4-3-5-12(16)10-24-27(2)21(17)31/h3-11,17-18,28H,1-2H3,(H,25,30)(H,26,29)/t11-,17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182693 (CHEMBL203644 | N-[4-[(3-chloro-4-fluorophenyl)amin...) Show SMILES CC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Show InChI InChI=1S/C17H11ClFN5O/c1-2-3-16(25)24-15-7-11-14(8-20-15)21-9-22-17(11)23-10-4-5-13(19)12(18)6-10/h4-9H,1H3,(H,20,24,25)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of erbB1 fusion protein expressed in baculovirus by ELISA				J Med Chem 49: 1475-85 (2006) Article DOI: 10.1021/jm050936o BindingDB Entry DOI: 10.7270/Q2ZS2X96
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3714 (2-{[3-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrim...) Show SMILES OCCN(CCO)CCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C20H25BrN6O2/c21-15-3-1-4-16(11-15)26-20-17-12-19(23-13-18(17)24-14-25-20)22-5-2-6-27(7-9-28)8-10-29/h1,3-4,11-14,28-29H,2,5-10H2,(H,22,23)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 41: 742-51 (1998) Article DOI: 10.1021/jm970641d BindingDB Entry DOI: 10.7270/Q2DB800T
					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))	BDBM50077247 (CHEMBL51741 | N-[4-(6-Bromo-2,3-dihydro-indol-1-yl...) Show SMILES Brc1ccc2CCN(c2c1)c1ncnc2ccc(NC(=O)C=C)cc12 Show InChI InChI=1S/C19H15BrN4O/c1-2-18(25)23-14-5-6-16-15(10-14)19(22-11-21-16)24-8-7-12-3-4-13(20)9-17(12)24/h2-6,9-11H,1,7-8H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477528 (CHEMBL397844) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:28| Show InChI InChI=1S/C24H28N4O4/c1-15(2)13-19(26-23(31)21(29)16-9-5-4-6-10-16)22(30)27-20-18-12-8-7-11-17(18)14-25-28(3)24(20)32/h4-12,14-15,19-21,29H,13H2,1-3H3,(H,26,31)(H,27,30)/t19-,20?,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077244 (CHEMBL31815 | N-(4-m-Tolylamino-quinazolin-6-yl)-a...) Show SMILES Cc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C18H16N4O/c1-3-17(23)21-14-7-8-16-15(10-14)18(20-11-19-16)22-13-6-4-5-12(2)9-13/h3-11H,1H2,2H3,(H,21,23)(H,19,20,22)	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	0.420	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					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))	BDBM3721 (2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin...) Show SMILES CN(CC(O)=O)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C16H14BrN5O2/c1-22(8-15(23)24)14-6-12-13(7-18-14)19-9-20-16(12)21-11-4-2-3-10(17)5-11/h2-7,9H,8H2,1H3,(H,23,24)(H,19,20,21)	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 IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 41: 742-51 (1998) Article DOI: 10.1021/jm970641d BindingDB Entry DOI: 10.7270/Q2DB800T
					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))	BDBM50077233 (CHEMBL443523 | N-(4-(3-bromophenylamino) quinazoli...) Show SMILES Brc1cccc(Nc2ncnc3cc(NC(=O)C=C)ccc23)c1 Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-14-15(9-13)19-10-20-17(14)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	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3727 (6-(Methylamino)-4-[(3-methylphenyl)amino]pyrido[3,...) Show SMILES CNc1cc2c(Nc3cccc(C)c3)ncnc2cn1 Show InChI InChI=1S/C15H15N5/c1-10-4-3-5-11(6-10)20-15-12-7-14(16-2)17-8-13(12)18-9-19-15/h3-9H,1-2H3,(H,16,17)(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	0.450	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 41: 742-51 (1998) Article DOI: 10.1021/jm970641d BindingDB Entry DOI: 10.7270/Q2DB800T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077236 (CHEMBL54088 | N-(4-m-Tolylamino-pyrido[3,4-d]pyrim...) Show SMILES Cc1cccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C17H15N5O/c1-3-16(23)22-15-8-13-14(9-18-15)19-10-20-17(13)21-12-6-4-5-11(2)7-12/h3-10H,1H2,2H3,(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	0.480	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182697 (CHEMBL203599 | N-[4-[(3-chloro-4-fluorophenyl)amin...) Show SMILES CN1CCN(CCC#CC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cn2)CC1 Show InChI InChI=1S/C23H23ClFN7O/c1-31-8-10-32(11-9-31)7-3-2-4-22(33)30-21-13-17-20(14-26-21)27-15-28-23(17)29-16-5-6-19(25)18(24)12-16/h5-6,12-15H,3,7-11H2,1H3,(H,26,30,33)(H,27,28,29)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of erbB1 fusion protein expressed in baculovirus by ELISA				J Med Chem 49: 1475-85 (2006) Article DOI: 10.1021/jm050936o BindingDB Entry DOI: 10.7270/Q2ZS2X96
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50182684 (CHEMBL437890 | N-[4-[(3-bromo-4-fluorophenyl)amino...) Show SMILES CN1CCN(CCC#CC(=O)Nc2cc3c(Nc4ccc(F)c(Br)c4)ncnc3cn2)CC1 Show InChI InChI=1S/C23H23BrFN7O/c1-31-8-10-32(11-9-31)7-3-2-4-22(33)30-21-13-17-20(14-26-21)27-15-28-23(17)29-16-5-6-19(25)18(24)12-16/h5-6,12-15H,3,7-11H2,1H3,(H,26,30,33)(H,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of erbB2 fusion protein expressed in baculovirus by ELISA				J Med Chem 49: 1475-85 (2006) Article DOI: 10.1021/jm050936o BindingDB Entry DOI: 10.7270/Q2ZS2X96
					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
Presenilin-1 (Homo sapiens (Human))	BDBM50477531 (CHEMBL396808) Show SMILES CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:29| Show InChI InChI=1S/C24H26F2N4O3/c1-14(2)8-20(28-21(31)11-15-9-17(25)12-18(26)10-15)23(32)29-22-19-7-5-4-6-16(19)13-27-30(3)24(22)33/h4-7,9-10,12-14,20,22H,8,11H2,1-3H3,(H,28,31)(H,29,32)/t20-,22?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50182688 (CHEMBL204638 | N-[4-[(3-bromo-4-fluorophenyl)amino...) Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)C#CCCN4CCOCC4)cc23)cc1Br Show InChI InChI=1S/C22H20BrFN6O2/c23-17-11-15(4-5-18(17)24)28-22-16-12-20(25-13-19(16)26-14-27-22)29-21(31)3-1-2-6-30-7-9-32-10-8-30/h4-5,11-14H,2,6-10H2,(H,25,29,31)(H,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of HER stimulated human erbB autophosphorylation in MDA-MB-453 cells				J Med Chem 49: 1475-85 (2006) Article DOI: 10.1021/jm050936o BindingDB Entry DOI: 10.7270/Q2ZS2X96
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50182693 (CHEMBL203644 | N-[4-[(3-chloro-4-fluorophenyl)amin...) Show SMILES CC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Show InChI InChI=1S/C17H11ClFN5O/c1-2-3-16(25)24-15-7-11-14(8-20-15)21-9-22-17(11)23-10-4-5-13(19)12(18)6-10/h4-9H,1H3,(H,20,24,25)(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of erbB4 fusion protein expressed in baculovirus by ELISA				J Med Chem 49: 1475-85 (2006) Article DOI: 10.1021/jm050936o BindingDB Entry DOI: 10.7270/Q2ZS2X96
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3667 (4-N-(3-bromophenyl)-7-N-[3-(1H-imidazol-1-yl)propy...) Show SMILES Brc1cccc(Nc2ncnc3cc(NCCCn4ccnc4)ncc23)c1 Show InChI InChI=1S/C19H18BrN7/c20-14-3-1-4-15(9-14)26-19-16-11-23-18(10-17(16)24-12-25-19)22-5-2-7-27-8-6-21-13-27/h1,3-4,6,8-13H,2,5,7H2,(H,22,23)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077246 (CHEMBL49986 | N-[4-(3-Bromo-phenylamino)-pyrido[4,...) Show SMILES Brc1cccc(Nc2ncnc3cc(NC(=O)C=C)ncc23)c1 Show InChI InChI=1S/C16H12BrN5O/c1-2-15(23)22-14-7-13-12(8-18-14)16(20-9-19-13)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	0.540	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					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))	BDBM3703 (3-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin...) Show SMILES CN(CC(O)CO)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C17H18BrN5O2/c1-23(8-13(25)9-24)16-6-14-15(7-19-16)20-10-21-17(14)22-12-4-2-3-11(18)5-12/h2-7,10,13,24-25H,8-9H2,1H3,(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	0.560	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 41: 742-51 (1998) Article DOI: 10.1021/jm970641d BindingDB Entry DOI: 10.7270/Q2DB800T
					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))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of erbB1 fusion protein expressed in baculovirus by ELISA				J Med Chem 49: 1475-85 (2006) Article DOI: 10.1021/jm050936o BindingDB Entry DOI: 10.7270/Q2ZS2X96
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182689 (CHEMBL378144 | N-[4-[(3-bromophenyl)amino]pyrido[3...) Show SMILES Brc1cccc(Nc2ncnc3cnc(NC(=O)C#C)cc23)c1 Show InChI InChI=1S/C16H10BrN5O/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/h1,3-9H,(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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of erbB1 fusion protein expressed in baculovirus by ELISA				J Med Chem 49: 1475-85 (2006) Article DOI: 10.1021/jm050936o BindingDB Entry DOI: 10.7270/Q2ZS2X96
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3670 (3-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES OC(=O)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C16H14BrN5O2/c17-10-2-1-3-11(6-10)22-16-12-8-19-14(18-5-4-15(23)24)7-13(12)20-9-21-16/h1-3,6-9H,4-5H2,(H,18,19)(H,23,24)(H,20,21,22)	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 IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					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))	BDBM3710 (4-N-(3-bromophenyl)-6-N-[2-(morpholin-4-yl)ethyl]p...) Show SMILES Brc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)cc23)c1 Show InChI InChI=1S/C19H21BrN6O/c20-14-2-1-3-15(10-14)25-19-16-11-18(22-12-17(16)23-13-24-19)21-4-5-26-6-8-27-9-7-26/h1-3,10-13H,4-9H2,(H,21,22)(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	7.4	22
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 41: 742-51 (1998) Article DOI: 10.1021/jm970641d BindingDB Entry DOI: 10.7270/Q2DB800T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50077238 (CHEMBL280757 | N-[4-(3-Bromo-4-fluoro-phenylamino)...) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Br Show InChI InChI=1S/C17H12BrFN4O/c1-2-16(24)22-10-4-6-15-12(7-10)17(21-9-20-15)23-11-3-5-14(19)13(18)8-11/h2-9H,1H2,(H,22,24)(H,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					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
Presenilin-1 (Homo sapiens (Human))	BDBM50477536 (CHEMBL247155) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccsc1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:26| Show InChI InChI=1S/C22H26N4O3S/c1-14(2)10-18(24-19(27)11-15-8-9-30-13-15)21(28)25-20-17-7-5-4-6-16(17)12-23-26(3)22(20)29/h4-9,12-14,18,20H,10-11H2,1-3H3,(H,24,27)(H,25,28)/t18-,20?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells				Bioorg Med Chem Lett 17: 4006-11 (2007) Article DOI: 10.1016/j.bmcl.2007.04.082 BindingDB Entry DOI: 10.7270/Q2XD14GF
					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	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)				J Med Chem 42: 1803-15 (1999) Article DOI: 10.1021/jm9806603 BindingDB Entry DOI: 10.7270/Q2B56HZG
					More data for this Ligand-Target Pair				3D Structure (crystal)

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