Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with all data for entry = 50039901   

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))	BDBM50386043 (CHEMBL2042883) Show SMILES CN(Cc1ccc(CNS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O Show InChI InChI=1S/C25H25ClN4O4S/c1-30(15-17-8-6-16(7-9-17)14-27-35(2,33)34)25(32)21-12-20-22(28-29-23(20)13-24(21)31)11-18-4-3-5-19(26)10-18/h3-10,12-13,27,31H,11,14-15H2,1-2H3,(H,28,29)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386053 (CHEMBL2042769) Show SMILES CN(Cc1ccc(CNS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C26H28N4O4S/c1-17-5-4-6-20(11-17)12-23-21-13-22(25(31)14-24(21)29-28-23)26(32)30(2)16-19-9-7-18(8-10-19)15-27-35(3,33)34/h4-11,13-14,27,31H,12,15-16H2,1-3H3,(H,28,29)	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	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386047 (CHEMBL2042764) Show SMILES CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H21ClFN3O2/c1-14-4-3-5-15(8-14)10-21-17-11-18(23(30)12-22(17)28-27-21)24(31)29(2)13-16-6-7-19(25)20(26)9-16/h3-9,11-12,30H,10,13H2,1-2H3,(H,27,28)	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	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386051 (CHEMBL2042767) Show SMILES CN(Cc1cccc(NS(C)(=O)=O)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C25H26N4O4S/c1-16-6-4-7-17(10-16)12-22-20-13-21(24(30)14-23(20)27-26-22)25(31)29(2)15-18-8-5-9-19(11-18)28-34(3,32)33/h4-11,13-14,28,30H,12,15H2,1-3H3,(H,26,27)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386005 (CHEMBL2042895) Show SMILES CN(Cc1ccccc1)C(=O)c1cc2c(CCc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C24H23N3O2/c1-27(16-18-10-6-3-7-11-18)24(29)20-14-19-21(25-26-22(19)15-23(20)28)13-12-17-8-4-2-5-9-17/h2-11,14-15,28H,12-13,16H2,1H3,(H,25,26)	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	230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386031 (CHEMBL2042870) Show SMILES CN(Cc1ccccc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H23N3O2/c1-16-7-6-10-18(11-16)12-21-19-13-20(23(28)14-22(19)26-25-21)24(29)27(2)15-17-8-4-3-5-9-17/h3-11,13-14,28H,12,15H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386018 (CHEMBL2042857) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C23H20ClN3O2/c1-27(14-16-7-9-17(24)10-8-16)23(29)19-12-18-20(11-15-5-3-2-4-6-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386052 (CHEMBL2042768) Show SMILES CN(Cc1ccc(NS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C25H26N4O4S/c1-16-5-4-6-18(11-16)12-22-20-13-21(24(30)14-23(20)27-26-22)25(31)29(2)15-17-7-9-19(10-8-17)28-34(3,32)33/h4-11,13-14,28,30H,12,15H2,1-3H3,(H,26,27)	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	350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386044 (CHEMBL2042761) Show SMILES CN(Cc1cccc(F)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H22FN3O2/c1-15-5-3-6-16(9-15)11-21-19-12-20(23(29)13-22(19)27-26-21)24(30)28(2)14-17-7-4-8-18(25)10-17/h3-10,12-13,29H,11,14H2,1-2H3,(H,26,27)	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	370	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386021 (CHEMBL2042860) Show SMILES CCc1ccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)cc1 Show InChI InChI=1S/C25H25N3O2/c1-3-17-9-11-19(12-10-17)16-28(2)25(30)21-14-20-22(13-18-7-5-4-6-8-18)26-27-23(20)15-24(21)29/h4-12,14-15,29H,3,13,16H2,1-2H3,(H,26,27)	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	390	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386029 (CHEMBL2042868) Show SMILES CN(Cc1ccccc1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O Show InChI InChI=1S/C23H20ClN3O2/c1-27(14-15-6-3-2-4-7-15)23(29)19-12-18-20(25-26-21(18)13-22(19)28)11-16-8-5-9-17(24)10-16/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)	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	400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386042 (CHEMBL2042882) Show SMILES CN(Cc1cccc(NS(C)(=O)=O)c1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H23ClN4O4S/c1-29(14-16-6-4-8-18(10-16)28-34(2,32)33)24(31)20-12-19-21(26-27-22(19)13-23(20)30)11-15-5-3-7-17(25)9-15/h3-10,12-13,28,30H,11,14H2,1-2H3,(H,26,27)	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	410	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386046 (CHEMBL2042763) Show SMILES COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)cc1 Show InChI InChI=1S/C25H25N3O3/c1-16-5-4-6-18(11-16)12-22-20-13-21(24(29)14-23(20)27-26-22)25(30)28(2)15-17-7-9-19(31-3)10-8-17/h4-11,13-14,29H,12,15H2,1-3H3,(H,26,27)	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	460	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386023 (CHEMBL2042862) Show SMILES COc1cccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)c1OC Show InChI InChI=1S/C25H25N3O4/c1-28(15-17-10-7-11-23(31-2)24(17)32-3)25(30)19-13-18-20(12-16-8-5-4-6-9-16)26-27-21(18)14-22(19)29/h4-11,13-14,29H,12,15H2,1-3H3,(H,26,27)	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	470	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386050 (CHEMBL2042766) Show SMILES CN(Cc1ccc(F)c(F)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H21F2N3O2/c1-14-4-3-5-15(8-14)10-21-17-11-18(23(30)12-22(17)28-27-21)24(31)29(2)13-16-6-7-19(25)20(26)9-16/h3-9,11-12,30H,10,13H2,1-2H3,(H,27,28)	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	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386011 (CHEMBL2042901) Show SMILES CN(Cc1cccc(F)c1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C23H20FN3O2/c1-27(14-16-8-5-9-17(24)10-16)23(29)19-12-18-20(11-15-6-3-2-4-7-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)	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	570	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386045 (CHEMBL2042762) Show SMILES CN(Cc1ccc(F)cc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H22FN3O2/c1-15-4-3-5-17(10-15)11-21-19-12-20(23(29)13-22(19)27-26-21)24(30)28(2)14-16-6-8-18(25)9-7-16/h3-10,12-13,29H,11,14H2,1-2H3,(H,26,27)	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	580	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386049 (CHEMBL2040870) Show SMILES COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)cc1OC Show InChI InChI=1S/C26H27N3O4/c1-16-6-5-7-17(10-16)11-21-19-13-20(23(30)14-22(19)28-27-21)26(31)29(2)15-18-8-9-24(32-3)25(12-18)33-4/h5-10,12-14,30H,11,15H2,1-4H3,(H,27,28)	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	580	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386037 (CHEMBL2042877) Show SMILES CN(Cc1ccccc1Br)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O Show InChI InChI=1S/C23H19BrClN3O2/c1-28(13-15-6-2-3-8-19(15)24)23(30)18-11-17-20(26-27-21(17)12-22(18)29)10-14-5-4-7-16(25)9-14/h2-9,11-12,29H,10,13H2,1H3,(H,26,27)	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	590	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386004 (CHEMBL2042894) Show SMILES CN(C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O)c1ccco1 Show InChI InChI=1S/C20H17N3O3/c1-23(19-8-5-9-26-19)20(25)15-11-14-16(10-13-6-3-2-4-7-13)21-22-17(14)12-18(15)24/h2-9,11-12,24H,10H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386008 (CHEMBL2042898) Show SMILES CN(Cc1ccccc1Br)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C23H20BrN3O2/c1-27(14-16-9-5-6-10-19(16)24)23(29)18-12-17-20(11-15-7-3-2-4-8-15)25-26-21(17)13-22(18)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)	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	610	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386020 (CHEMBL2042859) Show SMILES CN(Cc1ccc(C)cc1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C24H23N3O2/c1-16-8-10-18(11-9-16)15-27(2)24(29)20-13-19-21(12-17-6-4-3-5-7-17)25-26-22(19)14-23(20)28/h3-11,13-14,28H,12,15H2,1-2H3,(H,25,26)	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	630	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386003 (CHEMBL2042893) Show SMILES CN(Cc1ccccc1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C23H21N3O2/c1-26(15-17-10-6-3-7-11-17)23(28)19-13-18-20(12-16-8-4-2-5-9-16)24-25-21(18)14-22(19)27/h2-11,13-14,27H,12,15H2,1H3,(H,24,25)	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	660	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386048 (CHEMBL2042765) Show SMILES COc1cc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)ccc1Cl Show InChI InChI=1S/C25H24ClN3O3/c1-15-5-4-6-16(9-15)10-21-18-12-19(23(30)13-22(18)28-27-21)25(31)29(2)14-17-7-8-20(26)24(11-17)32-3/h4-9,11-13,30H,10,14H2,1-3H3,(H,27,28)	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	680	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386038 (CHEMBL2042878) Show SMILES CN(Cc1cccc(F)c1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O Show InChI InChI=1S/C23H19ClFN3O2/c1-28(13-15-5-3-7-17(25)9-15)23(30)19-11-18-20(26-27-21(18)12-22(19)29)10-14-4-2-6-16(24)8-14/h2-9,11-12,29H,10,13H2,1H3,(H,26,27)	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	710	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386041 (CHEMBL2042881) Show SMILES COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(Cl)c4)n[nH]c3cc2O)cc1OC Show InChI InChI=1S/C25H24ClN3O4/c1-29(14-16-7-8-23(32-2)24(11-16)33-3)25(31)19-12-18-20(27-28-21(18)13-22(19)30)10-15-5-4-6-17(26)9-15/h4-9,11-13,30H,10,14H2,1-3H3,(H,27,28)	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	730	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386009 (CHEMBL2042899) Show SMILES CN(Cc1ccccc1C)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C24H23N3O2/c1-16-8-6-7-11-18(16)15-27(2)24(29)20-13-19-21(12-17-9-4-3-5-10-17)25-26-22(19)14-23(20)28/h3-11,13-14,28H,12,15H2,1-2H3,(H,25,26)	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	740	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386022 (CHEMBL2042861) Show SMILES CCOc1ccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)cc1 Show InChI InChI=1S/C25H25N3O3/c1-3-31-19-11-9-18(10-12-19)16-28(2)25(30)21-14-20-22(13-17-7-5-4-6-8-17)26-27-23(20)15-24(21)29/h4-12,14-15,29H,3,13,16H2,1-2H3,(H,26,27)	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	760	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50385993 (CHEMBL2042760) Show SMILES CN(Cc1ccccc1Br)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H22BrN3O2/c1-15-6-5-7-16(10-15)11-21-18-12-19(23(29)13-22(18)27-26-21)24(30)28(2)14-17-8-3-4-9-20(17)25/h3-10,12-13,29H,11,14H2,1-2H3,(H,26,27)	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	780	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386040 (CHEMBL2042880) Show SMILES COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(Cl)c4)n[nH]c3cc2O)cc1 Show InChI InChI=1S/C24H22ClN3O3/c1-28(14-15-6-8-18(31-2)9-7-15)24(30)20-12-19-21(26-27-22(19)13-23(20)29)11-16-4-3-5-17(25)10-16/h3-10,12-13,29H,11,14H2,1-2H3,(H,26,27)	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386039 (CHEMBL2042879) Show SMILES CN(Cc1ccc(F)cc1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O Show InChI InChI=1S/C23H19ClFN3O2/c1-28(13-14-5-7-17(25)8-6-14)23(30)19-11-18-20(26-27-21(18)12-22(19)29)10-15-3-2-4-16(24)9-15/h2-9,11-12,29H,10,13H2,1H3,(H,26,27)	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386006 (CHEMBL2042896) Show SMILES CN(Cc1ccccc1F)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C23H20FN3O2/c1-27(14-16-9-5-6-10-19(16)24)23(29)18-12-17-20(11-15-7-3-2-4-8-15)25-26-21(17)13-22(18)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)	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	900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50385997 (CHEMBL2042887) Show SMILES Cc1ccc(cc1)-c1nc(N)nc2ccc(Cl)cc12 Show InChI InChI=1S/C15H12ClN3/c1-9-2-4-10(5-3-9)14-12-8-11(16)6-7-13(12)18-15(17)19-14/h2-8H,1H3,(H2,17,18,19)	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	900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386015 (CHEMBL2042905) Show SMILES COc1cccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)c1 Show InChI InChI=1S/C24H23N3O3/c1-27(15-17-9-6-10-18(11-17)30-2)24(29)20-13-19-21(12-16-7-4-3-5-8-16)25-26-22(19)14-23(20)28/h3-11,13-14,28H,12,15H2,1-2H3,(H,25,26)	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	980	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50385992 (CHEMBL2042864) Show SMILES CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C23H19ClFN3O2/c1-28(13-15-7-8-18(24)19(25)9-15)23(30)17-11-16-20(10-14-5-3-2-4-6-14)26-27-21(16)12-22(17)29/h2-9,11-12,29H,10,13H2,1H3,(H,26,27)	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	980	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386043 (CHEMBL2042883) Show SMILES CN(Cc1ccc(CNS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O Show InChI InChI=1S/C25H25ClN4O4S/c1-30(15-17-8-6-16(7-9-17)14-27-35(2,33)34)25(32)21-12-20-22(28-29-23(20)13-24(21)31)11-18-4-3-5-19(26)10-18/h3-10,12-13,27,31H,11,14-15H2,1-2H3,(H,28,29)	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human A2780 cells assessed as Hsp70 upregulation after 24 hrs by immunostaining method				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386007 (CHEMBL2042897) Show SMILES CN(Cc1ccccc1Cl)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C23H20ClN3O2/c1-27(14-16-9-5-6-10-19(16)24)23(29)18-12-17-20(11-15-7-3-2-4-8-15)25-26-21(17)13-22(18)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386017 (CHEMBL2042856) Show SMILES CN(Cc1ccc(F)cc1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C23H20FN3O2/c1-27(14-16-7-9-17(24)10-8-16)23(29)19-12-18-20(11-15-5-3-2-4-6-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386019 (CHEMBL2042858) Show SMILES CN(Cc1ccc(Br)cc1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C23H20BrN3O2/c1-27(14-16-7-9-17(24)10-8-16)23(29)19-12-18-20(11-15-5-3-2-4-6-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386053 (CHEMBL2042769) Show SMILES CN(Cc1ccc(CNS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C26H28N4O4S/c1-17-5-4-6-20(11-17)12-23-21-13-22(25(31)14-24(21)29-28-23)26(32)30(2)16-19-9-7-18(8-10-19)15-27-35(3,33)34/h4-11,13-14,27,31H,12,15-16H2,1-3H3,(H,28,29)	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human A2780 cells assessed as Hsp70 upregulation after 24 hrs by immunostaining method				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386013 (CHEMBL2042903) Show SMILES CN(Cc1cccc(Br)c1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C23H20BrN3O2/c1-27(14-16-8-5-9-17(24)10-16)23(29)19-12-18-20(11-15-6-3-2-4-7-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)	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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386036 (CHEMBL2042875) Show SMILES CN(Cc1ccccc1)C(=O)c1cc2c(Cc3ccc(C)cc3)n[nH]c2cc1O Show InChI InChI=1S/C24H23N3O2/c1-16-8-10-17(11-9-16)12-21-19-13-20(23(28)14-22(19)26-25-21)24(29)27(2)15-18-6-4-3-5-7-18/h3-11,13-14,28H,12,15H2,1-2H3,(H,25,26)	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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386028 (CHEMBL2042867) Show SMILES CN(Cc1ccccc1)C(=O)c1cc2c(Cc3cccc(F)c3)n[nH]c2cc1O Show InChI InChI=1S/C23H20FN3O2/c1-27(14-15-6-3-2-4-7-15)23(29)19-12-18-20(25-26-21(18)13-22(19)28)11-16-8-5-9-17(24)10-16/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)	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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386034 (CHEMBL2042873) Show SMILES CCc1cccc(Cc2n[nH]c3cc(O)c(cc23)C(=O)N(C)Cc2ccccc2)c1 Show InChI InChI=1S/C25H25N3O2/c1-3-17-10-7-11-19(12-17)13-22-20-14-21(24(29)15-23(20)27-26-22)25(30)28(2)16-18-8-5-4-6-9-18/h4-12,14-15,29H,3,13,16H2,1-2H3,(H,26,27)	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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386033 (CHEMBL2042872) Show SMILES COc1cccc(Cc2n[nH]c3cc(O)c(cc23)C(=O)N(C)Cc2ccccc2)c1 Show InChI InChI=1S/C24H23N3O3/c1-27(15-16-7-4-3-5-8-16)24(29)20-13-19-21(25-26-22(19)14-23(20)28)12-17-9-6-10-18(11-17)30-2/h3-11,13-14,28H,12,15H2,1-2H3,(H,25,26)	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386030 (CHEMBL2042869) Show SMILES Cc1cccc(Cc2n[nH]c3cc(O)c(cc23)C(=O)NCc2ccccc2)c1 Show InChI InChI=1S/C23H21N3O2/c1-15-6-5-9-17(10-15)11-20-18-12-19(22(27)13-21(18)26-25-20)23(28)24-14-16-7-3-2-4-8-16/h2-10,12-13,27H,11,14H2,1H3,(H,24,28)(H,25,26)	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386012 (CHEMBL2042902) Show SMILES CN(Cc1cccc(Cl)c1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C23H20ClN3O2/c1-27(14-16-8-5-9-17(24)10-16)23(29)19-12-18-20(11-15-6-3-2-4-7-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386010 (CHEMBL2042900) Show SMILES COc1ccccc1CN(C)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C24H23N3O3/c1-27(15-17-10-6-7-11-23(17)30-2)24(29)19-13-18-20(12-16-8-4-3-5-9-16)25-26-21(18)14-22(19)28/h3-11,13-14,28H,12,15H2,1-2H3,(H,25,26)	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50386001 (CHEMBL2042891) Show SMILES CCCCN(C)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C20H23N3O2/c1-3-4-10-23(2)20(25)16-12-15-17(11-14-8-6-5-7-9-14)21-22-18(15)13-19(16)24/h5-9,12-13,24H,3-4,10-11H2,1-2H3,(H,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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50385995 (CHEMBL2042890) Show SMILES CCCN(C)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C19H21N3O2/c1-3-9-22(2)19(24)15-11-14-16(10-13-7-5-4-6-8-13)20-21-17(14)12-18(15)23/h4-8,11-12,23H,3,9-10H2,1-2H3,(H,20,21)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
					More data for this Ligand-Target Pair

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