Compile Data Set for Download or QSAR

Found 2009 hits with Last Name = 'kraker' and Initial = 'aj'   

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))	BDBM3585 (4-[(3-Bromophenyl)amino]benzo[g]quinazoline | Benz...) Show SMILES Brc1cccc(Nc2ncnc3cc4ccccc4cc23)c1 Show InChI InChI=1S/C18H12BrN3/c19-14-6-3-7-15(10-14)22-18-16-8-12-4-1-2-5-13(12)9-17(16)20-11-21-18/h1-11H,(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	0.00300	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 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3556 (4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...) Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	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	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3570 (8-[(3-Bromophenyl)amino]-1H-imidazo[4,5-g]quinazol...) Show SMILES Brc1cccc(Nc2ncnc3cc4nc[nH]c4cc23)c1 Show InChI InChI=1S/C15H10BrN5/c16-9-2-1-3-10(4-9)21-15-11-5-13-14(19-7-18-13)6-12(11)17-8-20-15/h1-8H,(H,18,19)(H,17,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3572 (8-[(3-Bromophenyl)amino]-1-methyl-1H-imidazo[4,5-g...) Show SMILES Cn1cnc2cc3ncnc(Nc4cccc(Br)c4)c3cc12 Show InChI InChI=1S/C16H12BrN5/c1-22-9-20-14-7-13-12(6-15(14)22)16(19-8-18-13)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0100	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 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3574 (8-[(3-Bromophenyl)amino]-3-methyl-3H-imidazo[4,5-g...) Show SMILES Cn1cnc2cc3c(Nc4cccc(Br)c4)ncnc3cc12 Show InChI InChI=1S/C16H12BrN5/c1-22-9-20-14-6-12-13(7-15(14)22)18-8-19-16(12)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0250	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 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3032 (CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(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	0.0250	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...				J Med Chem 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3568 (CHEMBL327307 | N-(3,4-dibromophenyl)-6,7-dimethoxy...) Show SMILES COc1cc2ncnc(Nc3ccc(Br)c(Br)c3)c2cc1OC Show InChI InChI=1S/C16H13Br2N3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-11(17)12(18)5-9/h3-8H,1-2H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0720	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3297 (4-Anilinoquinazoline deriv. 48 | 4-N-(3-bromopheny...) Show SMILES Nc1ccc2c(Nc3cccc(Br)c3)ncnc2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-5-4-10(16)7-13(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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3303 (4-Anilinoquinazoline deriv. 54 | 4-N-(3-bromopheny...) Show SMILES Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N Show InChI InChI=1S/C14H12BrN5/c15-8-2-1-3-9(4-8)20-14-10-5-11(16)12(17)6-13(10)18-7-19-14/h1-7H,16-17H2,(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	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3302 (4-Anilinoquinazoline deriv. 53 | 4-[(3-bromophenyl...) Show SMILES Oc1cc2ncnc(Nc3cccc(Br)c3)c2cc1O Show InChI InChI=1S/C14H10BrN3O2/c15-8-2-1-3-9(4-8)18-14-10-5-12(19)13(20)6-11(10)16-7-17-14/h1-7,19-20H,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3557 (CHEMBL418967 | N-(3-bromophenyl)-6,7-dipropoxyquin...) Show SMILES CCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCC Show InChI InChI=1S/C20H22BrN3O2/c1-3-8-25-18-11-16-17(12-19(18)26-9-4-2)22-13-23-20(16)24-15-7-5-6-14(21)10-15/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3534 (6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazo...) Show SMILES COc1cc2ncnc(Nc3cccc(c3)C(F)(F)F)c2cc1OC Show InChI InChI=1S/C17H14F3N3O2/c1-24-14-7-12-13(8-15(14)25-2)21-9-22-16(12)23-11-5-3-4-10(6-11)17(18,19)20/h3-9H,1-2H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3520 (4-N-(3-chlorophenyl)quinazoline-4,7-diamine | CHEM...) Show SMILES Nc1ccc2c(Nc3cccc(Cl)c3)ncnc2c1 Show InChI InChI=1S/C14H11ClN4/c15-9-2-1-3-11(6-9)19-14-12-5-4-10(16)7-13(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 Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3571 (8-[(3-Bromophenyl)amino]-2-methyl-1H-imidazo[4,5-g...) Show SMILES Cc1nc2cc3ncnc(Nc4cccc(Br)c4)c3cc2[nH]1 Show InChI InChI=1S/C16H12BrN5/c1-9-20-14-6-12-13(7-15(14)21-9)18-8-19-16(12)22-11-4-2-3-10(17)5-11/h2-8H,1H3,(H,20,21)(H,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	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 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3532 (CHEMBL540068 | CHEMBL7917 | N-(3-chlorophenyl)-6,7...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC Show InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3581 (8-[(3-Bromophenyl)amino]-1H-pyrazolo[3,4-g]quinazo...) Show SMILES Brc1cccc(Nc2ncnc3cc4cn[nH]c4cc23)c1 Show InChI InChI=1S/C15H10BrN5/c16-10-2-1-3-11(5-10)20-15-12-6-13-9(7-19-21-13)4-14(12)17-8-18-15/h1-8H,(H,19,21)(H,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	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 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3522 (4-N-(3-iodophenyl)quinazoline-4,7-diamine | CHEMBL...) Show SMILES Nc1ccc2c(Nc3cccc(I)c3)ncnc2c1 Show InChI InChI=1S/C14H11IN4/c15-9-2-1-3-11(6-9)19-14-12-5-4-10(16)7-13(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 Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3582 (5-[(3-Bromophenyl)amino]-1H-pyrazolo[4,3-g]quinazo...) Show SMILES Brc1cccc(Nc2ncnc3cc4[nH]ncc4cc23)c1 Show InChI InChI=1S/C15H10BrN5/c16-10-2-1-3-11(5-10)20-15-12-4-9-7-19-21-13(9)6-14(12)17-8-18-15/h1-8H,(H,19,21)(H,17,18,20)	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	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 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3583 (5-[(3-Bromophenyl)amino]-1H-pyrrolo[3,2-g]quinazol...) Show SMILES Brc1cccc(Nc2ncnc3cc4[nH]ccc4cc23)c1 Show InChI InChI=1S/C16H11BrN4/c17-11-2-1-3-12(7-11)21-16-13-6-10-4-5-18-14(10)8-15(13)19-9-20-16/h1-9,18H,(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	0.440	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 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3564 (4-[(3-Bromophenyl)amino]-5,6,7-trimethoxyquinazoli...) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2c(OC)c1OC Show InChI InChI=1S/C17H16BrN3O3/c1-22-13-8-12-14(16(24-3)15(13)23-2)17(20-9-19-12)21-11-6-4-5-10(18)7-11/h4-9H,1-3H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3544 (4-N-(3-bromophenyl)-7-N-methylquinazoline-4,6,7-tr...) Show SMILES CNc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N Show InChI InChI=1S/C15H14BrN5/c1-18-14-7-13-11(6-12(14)17)15(20-8-19-13)21-10-4-2-3-9(16)5-10/h2-8,18H,17H2,1H3,(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	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					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	0.780	n/a	n/a	n/a	n/a	7.4	22
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3533 (CHEMBL1204305 | CHEMBL96065 | N-(3-iodophenyl)-6,7...) Show SMILES COc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC Show InChI InChI=1S/C16H14IN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(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	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3567 (CHEMBL328106 | N-(4-bromophenyl)-6,7-dimethoxyquin...) Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-10(17)4-6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3584 (9-[(3-Bromophenyl)amino]-1H-pyrrolo[2,3-f]quinazol...) Show SMILES Brc1cccc(Nc2ncnc3ccc4cc[nH]c4c23)c1 Show InChI InChI=1S/C16H11BrN4/c17-11-2-1-3-12(8-11)21-16-14-13(19-9-20-16)5-4-10-6-7-18-15(10)14/h1-9,18H,(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	1.24	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 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3573 (8-[(3-Bromophenyl)amino]-1-[2-(dimethylamino)ethyl...) Show SMILES CN(C)CCn1cnc2cc3ncnc(Nc4cccc(Br)c4)c3cc12 Show InChI InChI=1S/C19H19BrN6/c1-25(2)6-7-26-12-23-17-10-16-15(9-18(17)26)19(22-11-21-16)24-14-5-3-4-13(20)8-14/h3-5,8-12H,6-7H2,1-2H3,(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32	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 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3586 (4-[(3-Bromophenyl)amino]pyrazino[2,3-g]quinazoline...) Show SMILES Brc1cccc(Nc2ncnc3cc4nccnc4cc23)c1 Show InChI InChI=1S/C16H10BrN5/c17-10-2-1-3-11(6-10)22-16-12-7-14-15(19-5-4-18-14)8-13(12)20-9-21-16/h1-9H,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	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 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3519 (4-N-(3-fluorophenyl)quinazoline-4,7-diamine | CHEM...) Show SMILES Nc1ccc2c(Nc3cccc(F)c3)ncnc2c1 Show InChI InChI=1S/C14H11FN4/c15-9-2-1-3-11(6-9)19-14-12-5-4-10(16)7-13(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 Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50245691 (9-hydroxy-6-(3-(methylamino)propyl)-4-phenylpyrrol...) Show SMILES CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1 Show InChI InChI=1S/C24H21N3O3/c1-25-10-5-11-27-18-9-8-15(28)12-17(18)20-19(27)13-16(14-6-3-2-4-7-14)21-22(20)24(30)26-23(21)29/h2-4,6-9,12-13,25,28H,5,10-11H2,1H3,(H,26,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50245342 (4-(2-Chlorophenyl)-9-hydroxy-6-[2-hydroxy-3-(methy...) Show SMILES CNCC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C24H20ClN3O4/c1-26-10-13(30)11-28-18-7-6-12(29)8-16(18)20-19(28)9-15(14-4-2-3-5-17(14)25)21-22(20)24(32)27-23(21)31/h2-9,13,26,29-30H,10-11H2,1H3,(H,27,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair				3D Structure (docked)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3523 (4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,7-dia...) Show SMILES Nc1ccc2c(Nc3cccc(c3)C(F)(F)F)ncnc2c1 Show InChI InChI=1S/C15H11F3N4/c16-15(17,18)9-2-1-3-11(6-9)22-14-12-5-4-10(19)7-13(12)20-8-21-14/h1-8H,19H2,(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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3531 (CHEMBL541586 | CHEMBL94431 | N-(3-fluorophenyl)-6,...) Show SMILES COc1cc2ncnc(Nc3cccc(F)c3)c2cc1OC Show InChI InChI=1S/C16H14FN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3546 (4-N-(3-bromophenyl)-7-methoxyquinazoline-4,6-diami...) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N Show InChI InChI=1S/C15H13BrN4O/c1-21-14-7-13-11(6-12(14)17)15(19-8-18-13)20-10-4-2-3-9(16)5-10/h2-8H,17H2,1H3,(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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					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	4	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3579 (8-[(3-Bromophenyl)amino]-1H-1,2,3-triazolo[4,5-g]-...) Show SMILES Brc1cccc(Nc2ncnc3cc4nn[nH]c4cc23)c1 Show InChI InChI=1S/C14H9BrN6/c15-8-2-1-3-9(4-8)18-14-10-5-12-13(20-21-19-12)6-11(10)16-7-17-14/h1-7H,(H,16,17,18)(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	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 39: 918-28 (1996) Article DOI: 10.1021/jm950692f BindingDB Entry DOI: 10.7270/Q2222RZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3538 (4-[(3-bromophenyl)amino]quinazolin-7-ol | CHEMBL93...) Show SMILES Oc1ccc2c(Nc3cccc(Br)c3)ncnc2c1 Show InChI InChI=1S/C14H10BrN3O/c15-9-2-1-3-10(6-9)18-14-12-5-4-11(19)7-13(12)16-8-17-14/h1-8,19H,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM3085 (6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...) Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-12.15,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description The kinase activity was measured by DELFIA/time-resolved fluorometry. The reaction was carried out in 96-well polypropylene plates and was terminated...				Biochem Pharmacol 60: 885-98 (2000) Article DOI: 10.1016/s0006-2952(00)00405-6 BindingDB Entry DOI: 10.7270/Q2MC8X7B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM4213 (6-(2,6-dichlorophenyl)-8-methyl-2-{[4-(morpholin-4...) Show SMILES Cn1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.52,-2.15,;-.52,-.61,;-1.86,.16,;-3.19,-.61,;-4.53,.16,;-5.86,-.61,;-7.19,.16,;-8.55,-.56,;-9.86,.26,;-9.8,1.8,;-8.44,2.52,;-7.14,1.7,;-11.11,2.62,;-11.11,4.16,;-12.44,4.93,;-13.78,4.16,;-13.78,2.62,;-12.44,1.85,;-4.53,1.7,;-3.19,2.47,;-1.86,1.7,;-.52,2.47,;.81,1.7,;2.14,2.47,;2.14,4.01,;.81,4.78,;3.48,4.78,;4.81,4.01,;4.81,2.47,;3.48,1.7,;3.48,.16,;.81,.16,;2.14,-.61,)| Show InChI InChI=1S/C24H21Cl2N5O2/c1-30-22-15(13-18(23(30)32)21-19(25)3-2-4-20(21)26)14-27-24(29-22)28-16-5-7-17(8-6-16)31-9-11-33-12-10-31/h2-8,13-14H,9-12H2,1H3,(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description The kinase activity was measured by DELFIA/time-resolved fluorometry. The reaction was carried out in 96-well polypropylene plates and was terminated...				Biochem Pharmacol 60: 885-98 (2000) Article DOI: 10.1016/s0006-2952(00)00405-6 BindingDB Entry DOI: 10.7270/Q2MC8X7B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM6569 (6-(2,6-dichlorophenyl)-2-[(4-fluorophenyl)amino]-8...) Show SMILES Cn1c2nc(Nc3ccc(F)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.18,-.45,;-.18,1.09,;-1.51,1.86,;-2.84,1.08,;-4.18,1.85,;-5.51,1.08,;-6.84,1.86,;-6.84,3.4,;-8.18,4.17,;-9.51,3.4,;-10.84,4.17,;-9.51,1.86,;-8.18,1.08,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,)| Show InChI InChI=1S/C20H13Cl2FN4O/c1-27-18-11(9-14(19(27)28)17-15(21)3-2-4-16(17)22)10-24-20(26-18)25-13-7-5-12(23)6-8-13/h2-10H,1H3,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description The kinase activity was measured by DELFIA/time-resolved fluorometry. The reaction was carried out in 96-well polypropylene plates and was terminated...				Biochem Pharmacol 60: 885-98 (2000) Article DOI: 10.1016/s0006-2952(00)00405-6 BindingDB Entry DOI: 10.7270/Q2MC8X7B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM6568 (6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...) Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)| Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description The kinase activity was measured by DELFIA/time-resolved fluorometry. The reaction was carried out in 96-well polypropylene plates and was terminated...				Biochem Pharmacol 60: 885-98 (2000) Article DOI: 10.1016/s0006-2952(00)00405-6 BindingDB Entry DOI: 10.7270/Q2MC8X7B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM6570 (6-(2,6-dichlorophenyl)-2-[(4-ethoxyphenyl)amino]-8...) Show SMILES CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-13.51,4.17,;-12.18,3.4,;-10.84,4.17,;-9.51,3.4,;-9.51,1.86,;-8.18,1.08,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-6.84,3.4,;-8.18,4.17,)| Show InChI InChI=1S/C22H18Cl2N4O2/c1-3-30-15-9-7-14(8-10-15)26-22-25-12-13-11-16(21(29)28(2)20(13)27-22)19-17(23)5-4-6-18(19)24/h4-12H,3H2,1-2H3,(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description The kinase activity was measured by DELFIA/time-resolved fluorometry. The reaction was carried out in 96-well polypropylene plates and was terminated...				Biochem Pharmacol 60: 885-98 (2000) Article DOI: 10.1016/s0006-2952(00)00405-6 BindingDB Entry DOI: 10.7270/Q2MC8X7B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM6571 (N-[2-(4-{[6-(2,6-dichlorophenyl)-8-methyl-7-oxo-7H...) Show SMILES CCN(CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1)C(C)=O |(-17.51,3.4,;-16.18,4.17,;-14.85,3.4,;-13.51,4.17,;-12.18,3.4,;-10.84,4.17,;-9.51,3.4,;-9.51,1.86,;-8.18,1.08,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-6.84,3.4,;-8.18,4.17,;-14.85,1.86,;-13.51,1.09,;-16.18,1.09,)| Show InChI InChI=1S/C26H25Cl2N5O3/c1-4-33(16(2)34)12-13-36-19-10-8-18(9-11-19)30-26-29-15-17-14-20(25(35)32(3)24(17)31-26)23-21(27)6-5-7-22(23)28/h5-11,14-15H,4,12-13H2,1-3H3,(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description The kinase activity was measured by DELFIA/time-resolved fluorometry. The reaction was carried out in 96-well polypropylene plates and was terminated...				Biochem Pharmacol 60: 885-98 (2000) Article DOI: 10.1016/s0006-2952(00)00405-6 BindingDB Entry DOI: 10.7270/Q2MC8X7B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM6572 (6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...) Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F |(-2.83,-3.52,;-4.17,-2.76,;-4.17,-1.22,;-5.51,-.46,;-5.51,1.08,;-4.18,1.86,;-4.18,3.4,;-2.84,4.17,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.09,;-6.84,-1.23,;-6.83,-2.77,;-5.5,-3.54,;-5.49,-5.08,)| Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					Assay Description The kinase activity was measured by DELFIA/time-resolved fluorometry. The reaction was carried out in 96-well polypropylene plates and was terminated...				Biochem Pharmacol 60: 885-98 (2000) Article DOI: 10.1016/s0006-2952(00)00405-6 BindingDB Entry DOI: 10.7270/Q2MC8X7B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50245693 (4-(2,6-dichlorophenyl)-9-hydroxy-6-(3-(methylamino...) Show SMILES CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(17.83,-19.63,;19.34,-19.93,;20.36,-18.78,;19.88,-17.32,;20.9,-16.17,;20.41,-14.71,;18.93,-14.24,;17.59,-15.01,;16.26,-14.24,;16.26,-12.69,;14.93,-11.92,;17.59,-11.92,;18.92,-12.69,;20.4,-12.2,;21.01,-10.79,;20.38,-9.39,;18.87,-9.08,;21.51,-8.35,;22.85,-9.11,;24.25,-8.48,;22.54,-10.62,;23.47,-11.86,;22.85,-13.28,;21.31,-13.45,;24.99,-11.68,;25.91,-12.93,;25.3,-14.34,;27.44,-12.75,;28.05,-11.34,;27.13,-10.1,;25.6,-10.28,;25.59,-8.73,)| Show InChI InChI=1S/C24H19Cl2N3O3/c1-27-8-3-9-29-17-7-6-12(30)10-13(17)20-18(29)11-14(19-15(25)4-2-5-16(19)26)21-22(20)24(32)28-23(21)31/h2,4-7,10-11,27,30H,3,8-9H2,1H3,(H,28,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3085 (6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...) Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-12.15,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.68	n/a	n/a	n/a	n/a	7.5	25
Parke-Davis Pharmaceutical Research					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...				Biochem Pharmacol 60: 885-98 (2000) Article DOI: 10.1016/s0006-2952(00)00405-6 BindingDB Entry DOI: 10.7270/Q2MC8X7B
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245523 (3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...) Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C23H16ClN3O4/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)26-23(21)31)14-9-11(28)5-6-16(14)27(17)8-7-18(25)29/h1-6,9-10,28H,7-8H2,(H2,25,29)(H,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3085 (6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...) Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-12.15,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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: 3276-92 (1998) Article DOI: 10.1021/jm9802259 BindingDB Entry DOI: 10.7270/Q27P8WK3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3547 (4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamin...) Show SMILES Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1Cl Show InChI InChI=1S/C14H10BrClN4/c15-8-2-1-3-9(4-8)20-14-10-5-12(17)11(16)6-13(10)18-7-19-14/h1-7H,17H2,(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	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research					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 39: 267-76 (1996) Article DOI: 10.1021/jm9503613 BindingDB Entry DOI: 10.7270/Q25T3HPR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245387 (3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...) Show SMILES Oc1ccc2n(CCC(=O)NS(=O)(=O)c3ccccc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C29H20ClN3O6S/c30-21-9-5-4-8-18(21)19-15-23-25(27-26(19)28(36)31-29(27)37)20-14-16(34)10-11-22(20)33(23)13-12-24(35)32-40(38,39)17-6-2-1-3-7-17/h1-11,14-15,34H,12-13H2,(H,32,35)(H,31,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245496 (4-(2,6-Dichlorophenyl)-9-hydroxy-6-(3-hydroxypropy...) Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(23.53,-35.27,;24.56,-34.12,;24.08,-32.66,;25.11,-31.51,;24.63,-30.05,;23.16,-29.57,;21.82,-30.34,;20.49,-29.57,;20.49,-28.02,;19.16,-27.25,;21.82,-27.25,;23.16,-28.02,;24.63,-27.54,;25.26,-26.13,;24.64,-24.72,;23.13,-24.4,;25.78,-23.7,;27.11,-24.47,;28.52,-23.85,;26.79,-25.97,;27.71,-27.22,;27.08,-28.64,;25.54,-28.79,;29.23,-27.06,;30.14,-28.31,;29.51,-29.72,;31.67,-28.15,;32.3,-26.75,;31.38,-25.5,;29.86,-25.66,;29.84,-24.12,)| Show InChI InChI=1S/C23H16Cl2N2O4/c24-14-3-1-4-15(25)18(14)13-10-17-19(21-20(13)22(30)26-23(21)31)12-9-11(29)5-6-16(12)27(17)7-2-8-28/h1,3-6,9-10,28-29H,2,7-8H2,(H,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair

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