Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'brekken' and Initial = 'j'   

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
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20787 (2-amino-6-halopurine analogue, 26 | 6-chloro-9-[(2...) Show SMILES COc1ccc(OC)c(Cn2cnc3c(Cl)nc(N)nc23)c1 Show InChI InChI=1S/C14H14ClN5O2/c1-21-9-3-4-10(22-2)8(5-9)6-20-7-17-11-12(15)18-14(16)19-13(11)20/h3-5,7H,6H2,1-2H3,(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20815 (2-amino-6-halopurine analogue, 37 | 6-chloro-9-[(3...) Show SMILES Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1 Show InChI InChI=1S/C13H13ClN6/c1-7-3-8(2)9(16-4-7)5-20-6-17-10-11(14)18-13(15)19-12(10)20/h3-4,6H,5H2,1-2H3,(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20789 (2-amino-6-halopurine analogue, 18a | 6-chloro-9-[(...) Show SMILES COc1cc(Cn2cnc3c(Cl)nc(N)nc23)c(Cl)c(OC)c1OC Show InChI InChI=1S/C15H15Cl2N5O3/c1-23-8-4-7(9(16)12(25-3)11(8)24-2)5-22-6-19-10-13(17)20-15(18)21-14(10)22/h4,6H,5H2,1-3H3,(H2,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20790 (2-amino-6-halopurine analogue, 18b | 9-[(2-bromo-3...) Show SMILES COc1cc(Cn2cnc3c(Cl)nc(N)nc23)c(Br)c(OC)c1OC Show InChI InChI=1S/C15H15BrClN5O3/c1-23-8-4-7(9(16)12(25-3)11(8)24-2)5-22-6-19-10-13(17)20-15(18)21-14(10)22/h4,6H,5H2,1-3H3,(H2,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20791 (2-amino-6-halopurine analogue, 18c | 6-chloro-9-[(...) Show SMILES COc1cc(Cn2cnc3c(Cl)nc(N)nc23)c(I)c(OC)c1OC Show InChI InChI=1S/C15H15ClIN5O3/c1-23-8-4-7(9(17)12(25-3)11(8)24-2)5-22-6-19-10-13(16)20-15(18)21-14(10)22/h4,6H,5H2,1-3H3,(H2,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	340	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20792 (2-amino-6-halopurine analogue, 27 | 6-bromo-9-[(2-...) Show SMILES COc1cc(Cn2cnc3c(Br)nc(N)nc23)c(Br)c(OC)c1OC Show InChI InChI=1S/C15H15Br2N5O3/c1-23-8-4-7(9(16)12(25-3)11(8)24-2)5-22-6-19-10-13(17)20-15(18)21-14(10)22/h4,6H,5H2,1-3H3,(H2,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20793 (2-amino-6-halopurine analogue, 19a | 9-[(2-bromo-3...) Show SMILES COc1cc(Cn2cnc3c(N)nc(N)nc23)c(Br)c(OC)c1OC Show InChI InChI=1S/C15H17BrN6O3/c1-23-8-4-7(9(16)12(25-3)11(8)24-2)5-22-6-19-10-13(17)20-15(18)21-14(10)22/h4,6H,5H2,1-3H3,(H4,17,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70E+4	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20794 (2-amino-6-halopurine analogue, 19b | 9-[(2-bromo-3...) Show SMILES COc1cc(Cn2cnc3c(OC)nc(N)nc23)c(Br)c(OC)c1OC Show InChI InChI=1S/C16H18BrN5O4/c1-23-9-5-8(10(17)13(25-3)12(9)24-2)6-22-7-19-11-14(22)20-16(18)21-15(11)26-4/h5,7H,6H2,1-4H3,(H2,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.50E+4	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20795 (2-amino-6-halopurine analogue, 19c | 2-amino-9-[(2...) Show SMILES COc1cc(Cn2cnc3c2nc(N)[nH]c3=O)c(Cl)c(OC)c1OC Show InChI InChI=1S/C15H16ClN5O4/c1-23-8-4-7(9(16)12(25-3)11(8)24-2)5-21-6-18-10-13(21)19-15(17)20-14(10)22/h4,6H,5H2,1-3H3,(H3,17,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20796 (2-amino-6-halopurine analogue, 19d | 2-amino-9-[(2...) Show SMILES COc1cc(Cn2cnc3c2nc(N)[nH]c3=S)c(Br)c(OC)c1OC Show InChI InChI=1S/C15H16BrN5O3S/c1-22-8-4-7(9(16)12(24-3)11(8)23-2)5-21-6-18-10-13(21)19-15(17)20-14(10)25/h4,6H,5H2,1-3H3,(H3,17,19,20,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+5	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20797 (2-amino-6-halopurine analogue, 19e | 9-[(2-bromo-3...) Show SMILES COc1cc(Cn2cnc3cnc(N)nc23)c(Br)c(OC)c1OC Show InChI InChI=1S/C15H16BrN5O3/c1-22-10-4-8(11(16)13(24-3)12(10)23-2)6-21-7-19-9-5-18-15(17)20-14(9)21/h4-5,7H,6H2,1-3H3,(H2,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+4	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20798 (2-amino-6-halopurine analogue, 19f | 9-[(2-chloro-...) Show SMILES COc1cc(Cn2cnc3c(C)nc(N)nc23)c(Cl)c(OC)c1OC Show InChI InChI=1S/C16H18ClN5O3/c1-8-12-15(21-16(18)20-8)22(7-19-12)6-9-5-10(23-2)13(24-3)14(25-4)11(9)17/h5,7H,6H2,1-4H3,(H2,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM15359 ((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM15381 (8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pen...) Show SMILES COc1cc(Cc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC Show InChI InChI=1S/C20H21ClFN5O3/c1-5-6-7-8-27-13(24-15-18(23)25-20(22)26-19(15)27)10-11-9-12(28-2)16(29-3)17(30-4)14(11)21/h1,9H,6-8,10H2,2-4H3,(H2,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20753 (9-{2-[(2,2-dimethylpropyl)amino]ethyl}-8-[(2-iodo-...) Show SMILES COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCNCC(C)(C)C)c1 Show InChI InChI=1S/C19H25IN6OS/c1-19(2,3)10-22-7-8-26-17-15(16(21)23-11-24-17)25-18(26)28-14-9-12(27-4)5-6-13(14)20/h5-6,9,11,22H,7-8,10H2,1-4H3,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20799 (2-amino-6-halopurine analogue, 16 | 6-chloro-9-[(5...) Show SMILES COc1c(C)ncc(Cn2cnc3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C14H15ClN6O/c1-7-9(4-17-8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20800 (2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...) Show SMILES COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20801 (2-[(2-amino-6-chloro-9H-purin-9-yl)methyl]-3,5-dim...) Show SMILES Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1O Show InChI InChI=1S/C13H13ClN6O/c1-6-3-16-8(7(2)10(6)21)4-20-5-17-9-11(14)18-13(15)19-12(9)20/h3,5H,4H2,1-2H3,(H,16,21)(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+5	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20802 (2-amino-6-halopurine analogue, 22 | 6-chloro-9-[(4...) Show SMILES CCOc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C15H17ClN6O/c1-4-23-12-8(2)5-18-10(9(12)3)6-22-7-19-11-13(16)20-15(17)21-14(11)22/h5,7H,4,6H2,1-3H3,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20803 (2-amino-6-halopurine analogue, 23 | 6-chloro-9-{[3...) Show SMILES CC(C)Oc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C16H19ClN6O/c1-8(2)24-13-9(3)5-19-11(10(13)4)6-23-7-20-12-14(17)21-16(18)22-15(12)23/h5,7-8H,6H2,1-4H3,(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20804 (2-[(2-amino-6-chloro-9H-purin-9-yl)methyl]-4-metho...) Show SMILES COc1c(C)c[n+]([O-])c(Cn2cnc3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C14H15ClN6O2/c1-7-4-21(22)9(8(2)11(7)23-3)5-20-6-17-10-12(15)18-14(16)19-13(10)20/h4,6H,5H2,1-3H3,(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	80	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20805 (2-amino-6-halopurine analogue, 25 | 6-chloro-9-[(6...) Show SMILES COc1c(C)c(Cl)nc(Cn2cnc3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C14H14Cl2N6O/c1-6-8(19-11(15)7(2)10(6)23-3)4-22-5-18-9-12(16)20-14(17)21-13(9)22/h5H,4H2,1-3H3,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20806 (2-amino-6-halopurine analogue, 28 | 6-chloro-9-[(4...) Show SMILES Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1Cl Show InChI InChI=1S/C13H12Cl2N6/c1-6-3-17-8(7(2)9(6)14)4-21-5-18-10-11(15)19-13(16)20-12(10)21/h3,5H,4H2,1-2H3,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20807 (2-amino-6-halopurine analogue, 29 | 9-[(4-bromo-3,...) Show SMILES Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1Br Show InChI InChI=1S/C13H12BrClN6/c1-6-3-17-8(7(2)9(6)14)4-21-5-18-10-11(15)19-13(16)20-12(10)21/h3,5H,4H2,1-2H3,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20808 (2-amino-6-halopurine analogue, 30 | 6-chloro-9-[(4...) Show SMILES Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1I Show InChI InChI=1S/C13H12ClIN6/c1-6-3-17-8(7(2)9(6)15)4-21-5-18-10-11(14)19-13(16)20-12(10)21/h3,5H,4H2,1-2H3,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20809 (2-amino-6-halopurine analogue, 31 | 6-chloro-9-[(3...) Show SMILES Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1[N+]([O-])=O Show InChI InChI=1S/C13H12ClN7O2/c1-6-3-16-8(7(2)10(6)21(22)23)4-20-5-17-9-11(14)18-13(15)19-12(9)20/h3,5H,4H2,1-2H3,(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20810 (2-amino-6-halopurine analogue, 32 | 9-[(4-amino-3,...) Show SMILES Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1N Show InChI InChI=1S/C13H14ClN7/c1-6-3-17-8(7(2)9(6)15)4-21-5-18-10-11(14)19-13(16)20-12(10)21/h3,5H,4H2,1-2H3,(H2,15,17)(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20811 (2-[(2-amino-6-chloro-9H-purin-9-yl)methyl]-3,5-dim...) Show SMILES Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1C#N Show InChI InChI=1S/C14H12ClN7/c1-7-4-18-10(8(2)9(7)3-16)5-22-6-19-11-12(15)20-14(17)21-13(11)22/h4,6H,5H2,1-2H3,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	990	n/a	n/a	n/a	n/a
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20812 (2-amino-6-halopurine analogue, 34 | 6-chloro-9-[(3...) Show SMILES Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1C Show InChI InChI=1S/C14H15ClN6/c1-7-4-17-10(9(3)8(7)2)5-21-6-18-11-12(15)19-14(16)20-13(11)21/h4,6H,5H2,1-3H3,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	42	n/a	n/a	n/a	n/a
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20813 (2-amino-6-halopurine analogue, 35 | 6-chloro-9-{[3...) Show SMILES CSc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C14H15ClN6S/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20814 (2-amino-6-halopurine analogue, 36 | 6-chloro-9-[(4...) Show SMILES Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1S(C)=O Show InChI InChI=1S/C14H15ClN6OS/c1-7-4-17-9(8(2)11(7)23(3)22)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20788 (2-amino-6-halopurine analogue, 17 | 6-chloro-9-[(3...) Show SMILES COc1cc(Cn2cnc3c(Cl)nc(N)nc23)cc(OC)c1OC Show InChI InChI=1S/C15H16ClN5O3/c1-22-9-4-8(5-10(23-2)12(9)24-3)6-21-7-18-11-13(16)19-15(17)20-14(11)21/h4-5,7H,6H2,1-3H3,(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	7.2	37
Biogen Idec					Assay Description EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...				J Med Chem 50: 2767-78 (2007) Article DOI: 10.1021/jm050752+ BindingDB Entry DOI: 10.7270/Q22Z13ST
					More data for this Ligand-Target Pair