Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'mansfield' and Initial = 'r'   

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))	BDBM20754 (8-(1,3-benzothiazol-2-ylsulfanyl)-9-butyl-9H-purin...) Show SMILES CCCCn1c(Sc2nc3ccccc3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C16H16N6S2/c1-2-3-8-22-14-12(13(17)18-9-19-14)21-15(22)24-16-20-10-6-4-5-7-11(10)23-16/h4-7,9H,2-3,8H2,1H3,(H2,17,18,19)	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	5.00E+3	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20755 (9-butyl-8-[(5-chloro-1,3-benzothiazol-2-yl)sulfany...) Show SMILES CCCCn1c(Sc2nc3cc(Cl)ccc3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C16H15ClN6S2/c1-2-3-6-23-14-12(13(18)19-8-20-14)22-15(23)25-16-21-10-7-9(17)4-5-11(10)24-16/h4-5,7-8H,2-3,6H2,1H3,(H2,18,19,20)	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+4	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20756 (9-butyl-8-[(4-chloro-1,3-benzothiazol-2-yl)sulfany...) Show SMILES CCCCn1c(Sc2nc3c(Cl)cccc3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C16H15ClN6S2/c1-2-3-7-23-14-12(13(18)19-8-20-14)21-15(23)25-16-22-11-9(17)5-4-6-10(11)24-16/h4-6,8H,2-3,7H2,1H3,(H2,18,19,20)	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	1.50E+4	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20757 (9-butyl-8-[(6-chloro-1,3-benzothiazol-2-yl)sulfany...) Show SMILES CCCCn1c(Sc2nc3ccc(Cl)cc3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C16H15ClN6S2/c1-2-3-6-23-14-12(13(18)19-8-20-14)22-15(23)25-16-21-10-5-4-9(17)7-11(10)24-16/h4-5,7-8H,2-3,6H2,1H3,(H2,18,19,20)	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	7.00E+3	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20758 (9-butyl-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfany...) Show SMILES CCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C16H15ClN6S2/c1-2-3-7-23-14-11(13(18)19-8-20-14)22-15(23)25-16-21-10-6-4-5-9(17)12(10)24-16/h4-6,8H,2-3,7H2,1H3,(H2,18,19,20)	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	180	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20759 (8-[(7-bromo-1,3-benzothiazol-2-yl)sulfanyl]-9-buty...) Show SMILES CCCCn1c(Sc2nc3cccc(Br)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C16H15BrN6S2/c1-2-3-7-23-14-11(13(18)19-8-20-14)22-15(23)25-16-21-10-6-4-5-9(17)12(10)24-16/h4-6,8H,2-3,7H2,1H3,(H2,18,19,20)	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	330	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20760 (9-butyl-8-[(7-fluoro-1,3-benzothiazol-2-yl)sulfany...) Show SMILES CCCCn1c(Sc2nc3cccc(F)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C16H15FN6S2/c1-2-3-7-23-14-11(13(18)19-8-20-14)22-15(23)25-16-21-10-6-4-5-9(17)12(10)24-16/h4-6,8H,2-3,7H2,1H3,(H2,18,19,20)	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	200	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20761 (9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)sulfany...) Show SMILES CCCCn1c(Sc2nc3cccc(C)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C17H18N6S2/c1-3-4-8-23-15-12(14(18)19-9-20-15)22-16(23)25-17-21-11-7-5-6-10(2)13(11)24-17/h5-7,9H,3-4,8H2,1-2H3,(H2,18,19,20)	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	300	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20762 (9-butyl-8-[(6,7-dichloro-1,3-benzothiazol-2-yl)sul...) Show SMILES CCCCn1c(Sc2nc3ccc(Cl)c(Cl)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C16H14Cl2N6S2/c1-2-3-6-24-14-11(13(19)20-7-21-14)23-15(24)26-16-22-9-5-4-8(17)10(18)12(9)25-16/h4-5,7H,2-3,6H2,1H3,(H2,19,20,21)	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	2.50E+4	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20763 (9-butyl-8-[(7-methoxy-1,3-benzothiazol-2-yl)sulfan...) Show SMILES CCCCn1c(Sc2nc3cccc(OC)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C17H18N6OS2/c1-3-4-8-23-15-12(14(18)19-9-20-15)22-16(23)26-17-21-10-6-5-7-11(24-2)13(10)25-17/h5-7,9H,3-4,8H2,1-2H3,(H2,18,19,20)	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	190	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20764 (9-butyl-8-[(7-ethoxy-1,3-benzothiazol-2-yl)sulfany...) Show SMILES CCCCn1c(Sc2nc3cccc(OCC)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C18H20N6OS2/c1-3-5-9-24-16-13(15(19)20-10-21-16)23-17(24)27-18-22-11-7-6-8-12(25-4-2)14(11)26-18/h6-8,10H,3-5,9H2,1-2H3,(H2,19,20,21)	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	1.00E+5	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20765 (8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-eth...) Show SMILES CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C14H11ClN6S2/c1-2-21-12-9(11(16)17-6-18-12)20-13(21)23-14-19-8-5-3-4-7(15)10(8)22-14/h3-6H,2H2,1H3,(H2,16,17,18)	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	200	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20766 (8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-pro...) Show SMILES CCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C15H13ClN6S2/c1-2-6-22-13-10(12(17)18-7-19-13)21-14(22)24-15-20-9-5-3-4-8(16)11(9)23-15/h3-5,7H,2,6H2,1H3,(H2,17,18,19)	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	250	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20767 (8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-pen...) Show SMILES CCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C17H17ClN6S2/c1-2-3-4-8-24-15-12(14(19)20-9-21-15)23-16(24)26-17-22-11-7-5-6-10(18)13(11)25-17/h5-7,9H,2-4,8H2,1H3,(H2,19,20,21)	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	700	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20768 (2-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulf...) Show SMILES CC(=O)OCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C16H13ClN6O2S2/c1-8(24)25-6-5-23-14-11(13(18)19-7-20-14)22-15(23)27-16-21-10-4-2-3-9(17)12(10)26-16/h2-4,7H,5-6H2,1H3,(H2,18,19,20)	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	150	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20769 (3-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulf...) Show SMILES CC(=O)OCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C17H15ClN6O2S2/c1-9(25)26-7-3-6-24-15-12(14(19)20-8-21-15)23-16(24)28-17-22-11-5-2-4-10(18)13(11)27-17/h2,4-5,8H,3,6-7H2,1H3,(H2,19,20,21)	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	90	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20770 (4-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulf...) Show SMILES CC(=O)OCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C18H17ClN6O2S2/c1-10(26)27-8-3-2-7-25-16-13(15(20)21-9-22-16)24-17(25)29-18-23-12-6-4-5-11(19)14(12)28-18/h4-6,9H,2-3,7-8H2,1H3,(H2,20,21,22)	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	130	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20771 (Benzothiazole analogue, 24 | CHEMBL377371 | diethy...) Show SMILES CCOP(=O)(CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12)OCC Show InChI InChI=1S/C18H20ClN6O3PS2/c1-3-27-29(26,28-4-2)9-8-25-16-13(15(20)21-10-22-16)24-17(25)31-18-23-12-7-5-6-11(19)14(12)30-18/h5-7,10H,3-4,8-9H2,1-2H3,(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20772 (5-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulf...) Show SMILES Nc1ncnc2n(CCCCC#N)c(Sc3nc4cccc(Cl)c4s3)nc12 Show InChI InChI=1S/C17H14ClN7S2/c18-10-5-4-6-11-13(10)26-17(23-11)27-16-24-12-14(20)21-9-22-15(12)25(16)8-3-1-2-7-19/h4-6,9H,1-3,8H2,(H2,20,21,22)	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	110	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20773 (2-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulf...) Show SMILES Nc1ncnc2n(CCO)c(Sc3nc4cccc(Cl)c4s3)nc12 Show InChI InChI=1S/C14H11ClN6OS2/c15-7-2-1-3-8-10(7)23-14(19-8)24-13-20-9-11(16)17-6-18-12(9)21(13)4-5-22/h1-3,6,22H,4-5H2,(H2,16,17,18)	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	300	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20774 (3-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulf...) Show SMILES Nc1ncnc2n(CCCO)c(Sc3nc4cccc(Cl)c4s3)nc12 Show InChI InChI=1S/C15H13ClN6OS2/c16-8-3-1-4-9-11(8)24-15(20-9)25-14-21-10-12(17)18-7-19-13(10)22(14)5-2-6-23/h1,3-4,7,23H,2,5-6H2,(H2,17,18,19)	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	150	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20775 (4-{6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulf...) Show SMILES Nc1ncnc2n(CCCCO)c(Sc3nc4cccc(Cl)c4s3)nc12 Show InChI InChI=1S/C16H15ClN6OS2/c17-9-4-3-5-10-12(9)25-16(21-10)26-15-22-11-13(18)19-8-20-14(11)23(15)6-1-2-7-24/h3-5,8,24H,1-2,6-7H2,(H2,18,19,20)	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	150	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20776 (8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-[2-...) Show SMILES Nc1ncnc2n(CCN3CCOCC3)c(Sc3nc4cccc(Cl)c4s3)nc12 Show InChI InChI=1S/C18H18ClN7OS2/c19-11-2-1-3-12-14(11)28-18(23-12)29-17-24-13-15(20)21-10-22-16(13)26(17)5-4-25-6-8-27-9-7-25/h1-3,10H,4-9H2,(H2,20,21,22)	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	250	n/a	n/a	7.2	37
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20777 (9-[2-(tert-butylamino)ethyl]-8-[(7-chloro-1,3-benz...) Show SMILES CC(C)(C)NCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C18H20ClN7S2/c1-18(2,3)23-7-8-26-15-12(14(20)21-9-22-15)25-16(26)28-17-24-11-6-4-5-10(19)13(11)27-17/h4-6,9,23H,7-8H2,1-3H3,(H2,20,21,22)	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	140	n/a	n/a	n/a	n/a
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20778 (8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-{2-...) Show SMILES CC(C)(C)CNCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C19H22ClN7S2/c1-19(2,3)9-22-7-8-27-16-13(15(21)23-10-24-16)26-17(27)29-18-25-12-6-4-5-11(20)14(12)28-18/h4-6,10,22H,7-9H2,1-3H3,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20779 (8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-[2-...) Show SMILES Nc1ncnc2n(CCNC3CC3)c(Sc3nc4cccc(Cl)c4s3)nc12 Show InChI InChI=1S/C17H16ClN7S2/c18-10-2-1-3-11-13(10)26-17(23-11)27-16-24-12-14(19)21-8-22-15(12)25(16)7-6-20-9-4-5-9/h1-3,8-9,20H,4-7H2,(H2,19,21,22)	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	110	n/a	n/a	n/a	n/a
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20780 (8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-[3-...) Show SMILES CC(C)NCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C18H20ClN7S2/c1-10(2)21-7-4-8-26-16-13(15(20)22-9-23-16)25-17(26)28-18-24-12-6-3-5-11(19)14(12)27-18/h3,5-6,9-10,21H,4,7-8H2,1-2H3,(H2,20,22,23)	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	170	n/a	n/a	n/a	n/a
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20781 (9-[3-(tert-butylamino)propyl]-8-[(7-chloro-1,3-ben...) Show SMILES CC(C)(C)NCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C19H22ClN7S2/c1-19(2,3)24-8-5-9-27-16-13(15(21)22-10-23-16)26-17(27)29-18-25-12-7-4-6-11(20)14(12)28-18/h4,6-7,10,24H,5,8-9H2,1-3H3,(H2,21,22,23)	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	150	n/a	n/a	n/a	n/a
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20782 (8-({7-bromopyrido[3,4-d][1,3]thiazol-2-yl}sulfanyl...) Show SMILES CCCCn1c(Sc2nc3cncc(Br)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C15H14BrN7S2/c1-2-3-4-23-13-10(12(17)19-7-20-13)22-14(23)25-15-21-9-6-18-5-8(16)11(9)24-15/h5-7H,2-4H2,1H3,(H2,17,19,20)	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	400	n/a	n/a	n/a	n/a
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20783 (CHEMBL212133 | Pyridothiazole analogue, 27 | dieth...) Show SMILES CCOP(=O)(CCn1c(Sc2nc3cncc(Br)c3s2)nc2c(N)ncnc12)OCC Show InChI InChI=1S/C17H19BrN7O3PS2/c1-3-27-29(26,28-4-2)6-5-25-15-12(14(19)21-9-22-15)24-16(25)31-17-23-11-8-20-7-10(18)13(11)30-17/h7-9H,3-6H2,1-2H3,(H2,19,21,22)	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	28	n/a	n/a	n/a	n/a
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20784 (9-butyl-8-({7-chloropyrido[3,4-d][1,3]thiazol-2-yl...) Show SMILES CCCCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C15H14ClN7S2/c1-2-3-4-23-13-10(12(17)19-7-20-13)22-14(23)25-15-21-9-6-18-5-8(16)11(9)24-15/h5-7H,2-4H2,1H3,(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	280	n/a	n/a	n/a	n/a
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20785 (CHEMBL212850 | Pyridothiazole analogue, 29 | dieth...) Show SMILES CCOP(=O)(CCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc12)OCC Show InChI InChI=1S/C17H19ClN7O3PS2/c1-3-27-29(26,28-4-2)6-5-25-15-12(14(19)21-9-22-15)24-16(25)31-17-23-11-8-20-7-10(18)13(11)30-17/h7-9H,3-6H2,1-2H3,(H2,19,21,22)	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	30	n/a	n/a	n/a	n/a
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20786 (3-[6-amino-8-({7-chloropyrido[3,4-d][1,3]thiazol-2...) Show SMILES CC(=O)OCCCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc12 Show InChI InChI=1S/C16H14ClN7O2S2/c1-8(25)26-4-2-3-24-14-11(13(18)20-7-21-14)23-15(24)28-16-22-10-6-19-5-9(17)12(10)27-16/h5-7H,2-4H2,1H3,(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	170	n/a	n/a	n/a	n/a
Conforma Therapeutics Corporation					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 49: 5352-62 (2006) Article DOI: 10.1021/jm051146h BindingDB Entry DOI: 10.7270/Q26M354P
					More data for this Ligand-Target Pair
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))	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
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)

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