Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 549   

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))	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))	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))	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))	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))	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))	BDBM3662 (4-[(3-Bromophenyl)amino]-7-[[3-(4-morpholino)propy...) Show SMILES [O-][N+]1(CCCNc2cc3ncnc(Nc4cccc(Br)c4)c3cn2)CCOCC1 Show InChI InChI=1S/C20H23BrN6O2/c21-15-3-1-4-16(11-15)26-20-17-13-23-19(12-18(17)24-14-25-20)22-5-2-6-27(28)7-9-29-10-8-27/h1,3-4,11-14H,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	0.740	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))	BDBM3668 (4-N-(3-bromophenyl)-7-N-[2-(1H-imidazol-4-yl)ethyl...) Show SMILES Brc1cccc(Nc2ncnc3cc(NCCc4cnc[nH]4)ncc23)c1 Show InChI InChI=1S/C18H16BrN7/c19-12-2-1-3-13(6-12)26-18-15-9-22-17(7-16(15)24-11-25-18)21-5-4-14-8-20-10-23-14/h1-3,6-11H,4-5H2,(H,20,23)(H,21,22)(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	0.910	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))	BDBM3648 (3-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES OCC(O)CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C16H16BrN5O2/c17-10-2-1-3-11(4-10)22-16-13-7-19-15(18-6-12(24)8-23)5-14(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 Similars	Article PubMed	n/a	n/a	0.920	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))	BDBM3665 (2-{[3-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrim...) Show SMILES OCCN(CCO)CCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C20H25BrN6O2/c21-15-3-1-4-16(11-15)26-20-17-13-23-19(12-18(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	1.20	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))	BDBM3673 (2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES OS(=O)(=O)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C15H14BrN5O3S/c16-10-2-1-3-11(6-10)21-15-12-8-18-14(7-13(12)19-9-20-15)17-4-5-25(22,23)24/h1-3,6-9H,4-5H2,(H,17,18)(H,19,20,21)(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	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 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))	BDBM3674 (7-(Methylamino)-4-[(3-methylphenyl)amino]pyrido-[4...) Show SMILES CNc1cc2ncnc(Nc3cccc(C)c3)c2cn1 Show InChI InChI=1S/C15H15N5/c1-10-4-3-5-11(6-10)20-15-12-8-17-14(16-2)7-13(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 Similars	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 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))	BDBM3669 (2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES OC(=O)CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C15H12BrN5O2/c16-9-2-1-3-10(4-9)21-15-11-6-17-13(18-7-14(22)23)5-12(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	1.5	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))	BDBM3660 (4-N-(3-bromophenyl)-7-N-[3-(morpholin-4-yl)propyl]...) Show SMILES Brc1cccc(Nc2ncnc3cc(NCCCN4CCOCC4)ncc23)c1 Show InChI InChI=1S/C20H23BrN6O/c21-15-3-1-4-16(11-15)26-20-17-13-23-19(12-18(17)24-14-25-20)22-5-2-6-27-7-9-28-10-8-27/h1,3-4,11-14H,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	1.90	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))	BDBM3647 (2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES CN(CCO)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C16H16BrN5O/c1-22(5-6-23)15-8-14-13(9-18-15)16(20-10-19-14)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	2.60	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))	BDBM3659 (4-N-(3-bromophenyl)-7-N-[2-(morpholin-4-yl)ethyl]p...) Show SMILES Brc1cccc(Nc2ncnc3cc(NCCN4CCOCC4)ncc23)c1 Show InChI InChI=1S/C19H21BrN6O/c20-14-2-1-3-15(10-14)25-19-16-12-22-18(11-17(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	3.20	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))	BDBM3649 (3-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES CN(CC(O)CO)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C17H18BrN5O2/c1-23(8-13(25)9-24)16-6-15-14(7-19-16)17(21-10-20-15)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 Similars	Article PubMed	n/a	n/a	3.20	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))	BDBM3653 (4-[(3-Bromophenyl)amino]-7-(N-methyl-D-glucamino)-...) Show SMILES CN(CC(O)C(O)C(O)C(O)CO)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C20H24BrN5O5/c1-26(8-15(28)18(30)19(31)16(29)9-27)17-6-14-13(7-22-17)20(24-10-23-14)25-12-4-2-3-11(21)5-12/h2-7,10,15-16,18-19,27-31H,8-9H2,1H3,(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	3.20	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))	BDBM3678 (7-N-[3-(1H-imidazol-1-yl)propyl]-4-N-(3-methylphen...) Show SMILES Cc1cccc(Nc2ncnc3cc(NCCCn4ccnc4)ncc23)c1 Show InChI InChI=1S/C20H21N7/c1-15-4-2-5-16(10-15)26-20-17-12-23-19(11-18(17)24-13-25-20)22-6-3-8-27-9-7-21-14-27/h2,4-5,7,9-14H,3,6,8H2,1H3,(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	3.5	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))	BDBM3652 (4-[(3-Bromophenyl)amino]-7-D-glucaminopyrido[4,3-d...) Show SMILES OCC(O)C(O)C(O)C(O)CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C19H22BrN5O5/c20-10-2-1-3-11(4-10)25-19-12-6-21-16(5-13(12)23-9-24-19)22-7-14(27)17(29)18(30)15(28)8-26/h1-6,9,14-15,17-18,26-30H,7-8H2,(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	4.80	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))	BDBM3663 (4-N-(3-bromophenyl)-7-N-[3-(4-methylpiperazin-1-yl...) Show SMILES CN1CCN(CCCNc2cc3ncnc(Nc4cccc(Br)c4)c3cn2)CC1 Show InChI InChI=1S/C21H26BrN7/c1-28-8-10-29(11-9-28)7-3-6-23-20-13-19-18(14-24-20)21(26-15-25-19)27-17-5-2-4-16(22)12-17/h2,4-5,12-15H,3,6-11H2,1H3,(H,23,24)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	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))	BDBM3661 (4-N-(3-bromophenyl)-7-N-[4-(morpholin-4-yl)butyl]p...) Show SMILES Brc1cccc(Nc2ncnc3cc(NCCCCN4CCOCC4)ncc23)c1 Show InChI InChI=1S/C21H25BrN6O/c22-16-4-3-5-17(12-16)27-21-18-14-24-20(13-19(18)25-15-26-21)23-6-1-2-7-28-8-10-29-11-9-28/h3-5,12-15H,1-2,6-11H2,(H,23,24)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	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))	BDBM3675 (7-N-[4-(dimethylamino)butyl]-4-N-(3-methylphenyl)p...) Show SMILES CN(C)CCCCNc1cc2ncnc(Nc3cccc(C)c3)c2cn1 Show InChI InChI=1S/C20H26N6/c1-15-7-6-8-16(11-15)25-20-17-13-22-19(12-18(17)23-14-24-20)21-9-4-5-10-26(2)3/h6-8,11-14H,4-5,9-10H2,1-3H3,(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	5.40	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))	BDBM3677 (4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-y...) Show SMILES CN1CCN(CCCNc2cc3ncnc(Nc4cccc(C)c4)c3cn2)CC1 Show InChI InChI=1S/C22H29N7/c1-17-5-3-6-18(13-17)27-22-19-15-24-21(14-20(19)25-16-26-22)23-7-4-8-29-11-9-28(2)10-12-29/h3,5-6,13-16H,4,7-12H2,1-2H3,(H,23,24)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	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))	BDBM3666 (4-[(3-Bromophenyl)amino]-7-hydrazinopyrido[4,3-d]-...) Show SMILES NNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C13H11BrN6/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(20-15)5-11(10)17-7-18-13/h1-7H,15H2,(H,16,20)(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	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))	BDBM3679 (7-N-[2-(1H-imidazol-4-yl)ethyl]-4-N-(3-methylpheny...) Show SMILES Cc1cccc(Nc2ncnc3cc(NCCc4cnc[nH]4)ncc23)c1 Show InChI InChI=1S/C19H19N7/c1-13-3-2-4-14(7-13)26-19-16-10-22-18(8-17(16)24-12-25-19)21-6-5-15-9-20-11-23-15/h2-4,7-12H,5-6H2,1H3,(H,20,23)(H,21,22)(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	7.20	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))	BDBM3656 (4-N-(3-bromophenyl)-7-N-[4-(dimethylamino)butyl]py...) Show SMILES CN(C)CCCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C19H23BrN6/c1-26(2)9-4-3-8-21-18-11-17-16(12-22-18)19(24-13-23-17)25-15-7-5-6-14(20)10-15/h5-7,10-13H,3-4,8-9H2,1-2H3,(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	7.40	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))	BDBM3657 (4-N-(3-bromophenyl)-7-N-[5-(dimethylamino)pentyl]p...) Show SMILES CN(C)CCCCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C20H25BrN6/c1-27(2)10-5-3-4-9-22-19-12-18-17(13-23-19)20(25-14-24-18)26-16-8-6-7-15(21)11-16/h6-8,11-14H,3-5,9-10H2,1-2H3,(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	8.40	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))	BDBM3655 (4-N-(3-bromophenyl)-7-N-[3-(dimethylamino)propyl]p...) Show SMILES CN(C)CCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C18H21BrN6/c1-25(2)8-4-7-20-17-10-16-15(11-21-17)18(23-12-22-16)24-14-6-3-5-13(19)9-14/h3,5-6,9-12H,4,7-8H2,1-2H3,(H,20,21)(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80	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))	BDBM3664 (2-{[2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrim...) Show SMILES OCCN(CCO)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C19H23BrN6O2/c20-14-2-1-3-15(10-14)25-19-16-12-22-18(11-17(16)23-13-24-19)21-4-5-26(6-8-27)7-9-28/h1-3,10-13,27-28H,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	9.20	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))	BDBM3676 (4-N-(3-methylphenyl)-7-N-[3-(morpholin-4-yl)propyl...) Show SMILES Cc1cccc(Nc2ncnc3cc(NCCCN4CCOCC4)ncc23)c1 Show InChI InChI=1S/C21H26N6O/c1-16-4-2-5-17(12-16)26-21-18-14-23-20(13-19(18)24-15-25-21)22-6-3-7-27-8-10-28-11-9-27/h2,4-5,12-15H,3,6-11H2,1H3,(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	9.30	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))	BDBM3309 (4-N-(3-bromophenyl)pyrido[4,3-d]pyrimidine-4,7-dia...) Show SMILES Nc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C13H10BrN5/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(15)5-11(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	10	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))	BDBM3651 (2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES OCCN(CCO)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C17H18BrN5O2/c18-12-2-1-3-13(8-12)22-17-14-10-19-16(9-15(14)20-11-21-17)23(4-6-24)5-7-25/h1-3,8-11,24-25H,4-7H2,(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	12	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))	BDBM3650 (2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES OCC(CO)Nc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C16H16BrN5O2/c17-10-2-1-3-11(4-10)22-16-13-6-18-15(21-12(7-23)8-24)5-14(13)19-9-20-16/h1-6,9,12,23-24H,7-8H2,(H,18,21)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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))	BDBM3672 (2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES CN(CC(O)=O)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C16H14BrN5O2/c1-22(8-15(23)24)14-6-13-12(7-18-14)16(20-9-19-13)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	16	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))	BDBM3658 (4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]-7...) Show SMILES CN(C)CCN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C18H21BrN6/c1-24(2)7-8-25(3)17-10-16-15(11-20-17)18(22-12-21-16)23-14-6-4-5-13(19)9-14/h4-6,9-12H,7-8H2,1-3H3,(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	40	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))	BDBM3654 (4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]py...) Show SMILES CN(C)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C17H19BrN6/c1-24(2)7-6-19-16-9-15-14(10-20-16)17(22-11-21-15)23-13-5-3-4-12(18)8-13/h3-5,8-11H,6-7H2,1-2H3,(H,19,20)(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	45	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