Compile Data Set for Download or QSAR

Found 78 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 404   

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-alpha (Homo sapiens (Human))	BDBM265029 (US10413550, Example 5 | US11234987, Example 5 | US...) Show SMILES Cc1noc(c1-c1ccc2OCCOc2c1)-c1ccc(O)cc1O Show InChI InChI=1S/C18H15NO5/c1-10-17(11-2-5-15-16(8-11)23-7-6-22-15)18(24-19-10)13-4-3-12(20)9-14(13)21/h2-5,8-9,20-21H,6-7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265032 (US10413550, Example 6 | US11234987, Example 6 | US...) Show SMILES Oc1ccc(Cl)cc1-c1oncc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H12ClNO4/c18-11-2-3-14(20)12(8-11)17-13(9-19-23-17)10-1-4-15-16(7-10)22-6-5-21-15/h1-4,7-9,20H,5-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265035 (US10413550, Example 7 | US11234987, Example 7 | US...) Show SMILES Oc1ccccc1-c1oncc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H13NO4/c19-14-4-2-1-3-12(14)17-13(10-18-22-17)11-5-6-15-16(9-11)21-8-7-20-15/h1-6,9-10,19H,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265038 (US10413550, Example 8 | US11234987, Example 8 | US...) Show SMILES COc1ccc(cc1OC)-c1cnoc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C17H14ClNO5/c1-22-15-4-3-9(5-16(15)23-2)11-8-19-24-17(11)10-6-12(18)14(21)7-13(10)20/h3-8,20-21H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265041 (US10413550, Example 9 | US11234987, Example 9 | US...) Show SMILES Cc1noc(c1-c1ccc(F)cc1)-c1ccc(O)cc1O Show InChI InChI=1S/C16H12FNO3/c1-9-15(10-2-4-11(17)5-3-10)16(21-18-9)13-7-6-12(19)8-14(13)20/h2-8,19-20H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265044 (US10413550, Example 10 | US11234987, Example 10 | ...) Show SMILES Cc1noc(c1-c1ccccc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C16H12ClNO3/c1-9-15(10-5-3-2-4-6-10)16(21-18-9)11-7-12(17)14(20)8-13(11)19/h2-8,19-20H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265047 (US10413550, Example 11 | US11234987, Example 11 | ...) Show SMILES CCc1cc(-c2oncc2-c2ccc(OC)c(OC)c2)c(O)cc1O Show InChI InChI=1S/C19H19NO5/c1-4-11-7-13(16(22)9-15(11)21)19-14(10-20-25-19)12-5-6-17(23-2)18(8-12)24-3/h5-10,21-22H,4H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265050 (US10413550, Example 12 | US11234987, Example 12 | ...) Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(c(O)cc1O)-c1cccnc1 Show InChI InChI=1S/C22H18N2O4/c1-13-21(14-5-7-16(27-2)8-6-14)22(28-24-13)18-10-17(19(25)11-20(18)26)15-4-3-9-23-12-15/h3-12,25-26H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265053 (US10413550, Example 12a | US11234987, Example 12a ...) Show SMILES Oc1cc(O)c(cc1Cl)-c1oncc1-c1ccc(Br)cc1 Show InChI InChI=1S/C15H9BrClNO3/c16-9-3-1-8(2-4-9)11-7-18-21-15(11)10-5-12(17)14(20)6-13(10)19/h1-7,19-20H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265056 (US10413550, Example 12b | US11234987, Example 12b ...) Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(C#N)c(O)cc1O Show InChI InChI=1S/C18H14N2O4/c1-10-17(11-3-5-13(23-2)6-4-11)18(24-20-10)14-7-12(9-19)15(21)8-16(14)22/h3-8,21-22H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265059 (US10413550, Example 12c | US11234987, Example 12c ...) Show SMILES Cc1cc(O)cc(O)c1-c1oncc1-c1csc(n1)-c1ccccc1 |(-1.74,-5.37,;-1.74,-3.83,;-3.07,-3.06,;-3.07,-1.52,;-4.41,-.75,;-1.74,-.75,;-.41,-1.52,;.93,-.75,;-.41,-3.06,;.93,-3.83,;1.4,-5.29,;2.94,-5.29,;3.42,-3.83,;2.17,-2.92,;2.94,-1.59,;4.41,-1.11,;4.41,.43,;2.94,.9,;2.04,-.34,;2.54,2.39,;3.63,3.48,;3.23,4.97,;1.75,5.37,;.66,4.28,;1.06,2.79,)| Show InChI InChI=1S/C19H14N2O3S/c1-11-7-13(22)8-16(23)17(11)18-14(9-20-24-18)15-10-25-19(21-15)12-5-3-2-4-6-12/h2-10,22-23H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32080 ((4E)-3-hydroxy-5-methyl-4-[4-(1,3-thiazol-4-yl)-3-...) Show SMILES Cc1cc(O)cc(O)c1-c1onc(c1-c1cscn1)C(F)(F)F |(10.95,-.89,;9.62,-1.66,;9.62,-3.2,;8.28,-3.97,;8.28,-5.51,;6.95,-3.2,;6.95,-1.66,;5.41,-1.66,;8.28,-.89,;8.28,.65,;9.53,1.55,;9.05,3.02,;7.51,3.02,;7.04,1.55,;5.57,1.08,;5.1,-.39,;3.56,-.39,;3.08,1.08,;4.33,1.98,;6.61,4.26,;5.7,5.51,;7.85,5.17,;5.36,3.36,)| Show InChI InChI=1S/C14H9F3N2O3S/c1-6-2-7(20)3-9(21)10(6)12-11(8-4-23-5-18-8)13(19-22-12)14(15,16)17/h2-5,20-21H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265065 (US10413550, Example 17 | US11234987, Example 17 | ...) Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(C=O)c(O)cc1O Show InChI InChI=1S/C18H15NO5/c1-10-17(11-3-5-13(23-2)6-4-11)18(24-19-10)14-7-12(9-20)15(21)8-16(14)22/h3-9,21-22H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265068 (US10413550, Example 18 | US11234987, Example 18 | ...) Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(C(=S)Nc2ccccc2)c(O)cc1O Show InChI InChI=1S/C24H20N2O4S/c1-14-22(15-8-10-17(29-2)11-9-15)23(30-26-14)18-12-19(21(28)13-20(18)27)24(31)25-16-6-4-3-5-7-16/h3-13,27-28H,1-2H3,(H,25,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265071 (US10413550, Example 19 | US11234987, Example 19 | ...) Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(C(=O)Nc2ccccc2OC)c(O)cc1O Show InChI InChI=1S/C25H22N2O6/c1-14-23(15-8-10-16(31-2)11-9-15)24(33-27-14)17-12-18(21(29)13-20(17)28)25(30)26-19-6-4-5-7-22(19)32-3/h4-13,28-29H,1-3H3,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265074 (US10413550, Example 20 | US11234987, Example 20 | ...) Show SMILES COC(c1ccccc1)c1cc(-c2onc(C)c2-c2ccc(OC)cc2)c(O)cc1O Show InChI InChI=1S/C25H23NO5/c1-15-23(16-9-11-18(29-2)12-10-16)25(31-26-15)20-13-19(21(27)14-22(20)28)24(30-3)17-7-5-4-6-8-17/h4-14,24,27-28H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265077 (US10413550, Example 21 | US11234987, Example 21 | ...) Show SMILES CCCCCc1noc(c1-c1ccc(OC)cc1)-c1ccc(O)cc1O Show InChI InChI=1S/C21H23NO4/c1-3-4-5-6-18-20(14-7-10-16(25-2)11-8-14)21(26-22-18)17-12-9-15(23)13-19(17)24/h7-13,23-24H,3-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265089 (US10413550, Example 30 | US11234987, Example 30 | ...) Show SMILES CC(=O)Nc1cccc(c1)-c1c(C)noc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C18H15ClN2O4/c1-9-17(11-4-3-5-12(6-11)20-10(2)22)18(25-21-9)13-7-14(19)16(24)8-15(13)23/h3-8,23-24H,1-2H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265263 (US10413550, Example 75a | US11234987, Example 75a ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CCc2cccc(C)c2)c(O)cc1O Show InChI InChI=1S/C33H37N3O4/c1-3-34-33(39)31-30(25-13-11-24(12-14-25)21-36-16-5-4-6-17-36)32(40-35-31)27-19-26(28(37)20-29(27)38)15-10-23-9-7-8-22(2)18-23/h7-9,11-14,18-20,37-38H,3-6,10,15-17,21H2,1-2H3,(H,34,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM20919 (5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(pip...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1 Show InChI InChI=1S/C30H31N3O4/c1-2-31-30(36)28-27(22-13-11-20(12-14-22)19-33-15-7-4-8-16-33)29(37-32-28)24-17-23(25(34)18-26(24)35)21-9-5-3-6-10-21/h3,5-6,9-14,17-18,34-35H,2,4,7-8,15-16,19H2,1H3,(H,31,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265269 (US10413550, Example 75c | US11234987, Example 75c ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CCc2cccc(C)c2)c(O)cc1O Show InChI InChI=1S/C32H35N3O5/c1-3-33-32(38)30-29(24-10-8-23(9-11-24)20-35-13-15-39-16-14-35)31(40-34-30)26-18-25(27(36)19-28(26)37)12-7-22-6-4-5-21(2)17-22/h4-6,8-11,17-19,36-37H,3,7,12-16,20H2,1-2H3,(H,33,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265272 (US10413550, Example 75d | US11234987, Example 75d ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F Show InChI InChI=1S/C30H30FN3O4/c1-2-32-30(37)28-27(20-12-10-19(11-13-20)18-34-14-6-3-7-15-34)29(38-33-28)23-16-22(25(35)17-26(23)36)21-8-4-5-9-24(21)31/h4-5,8-13,16-17,35-36H,2-3,6-7,14-15,18H2,1H3,(H,32,37)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265275 (US10413550, Example 75e | US11234987, Example 75e ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CCc2cccc(F)c2)c(O)cc1O Show InChI InChI=1S/C32H34FN3O4/c1-2-34-32(39)30-29(23-12-10-22(11-13-23)20-36-15-4-3-5-16-36)31(40-35-30)26-18-24(27(37)19-28(26)38)14-9-21-7-6-8-25(33)17-21/h6-8,10-13,17-19,37-38H,2-5,9,14-16,20H2,1H3,(H,34,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265281 (US10413550, Example 75f | US11234987, Example 75f ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F Show InChI InChI=1S/C29H28FN3O5/c1-2-31-29(36)27-26(19-9-7-18(8-10-19)17-33-11-13-37-14-12-33)28(38-32-27)22-15-21(24(34)16-25(22)35)20-5-3-4-6-23(20)30/h3-10,15-16,34-35H,2,11-14,17H2,1H3,(H,31,36)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265284 (US10413550, Example 75g | US11234987, Example 75g ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F Show InChI InChI=1S/C30H31FN4O4/c1-3-32-30(38)28-27(20-10-8-19(9-11-20)18-35-14-12-34(2)13-15-35)29(39-33-28)23-16-22(25(36)17-26(23)37)21-6-4-5-7-24(21)31/h4-11,16-17,36-37H,3,12-15,18H2,1-2H3,(H,32,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265287 (US10413550, Example 75h | US11234987, Example 75h ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(CCc2cccc(F)c2)c(O)cc1O Show InChI InChI=1S/C31H34FN3O4/c1-4-33-31(38)29-28(22-13-11-21(12-14-22)19-35(5-2)6-3)30(39-34-29)25-17-23(26(36)18-27(25)37)15-10-20-8-7-9-24(32)16-20/h7-9,11-14,16-18,36-37H,4-6,10,15,19H2,1-3H3,(H,33,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265290 (US11234987, Example 75i | US9718793, 75i) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CCc2ccccc2)c(O)cc1O Show InChI InChI=1S/C32H35N3O4/c1-2-33-32(38)30-29(24-14-12-23(13-15-24)21-35-17-7-4-8-18-35)31(39-34-30)26-19-25(27(36)20-28(26)37)16-11-22-9-5-3-6-10-22/h3,5-6,9-10,12-15,19-20,36-37H,2,4,7-8,11,16-18,21H2,1H3,(H,33,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265293 (US10413550, Example 75k | US11234987, Example 75k ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F Show InChI InChI=1S/C29H28FN3O4/c1-2-31-29(36)27-26(19-11-9-18(10-12-19)17-33-13-5-6-14-33)28(37-32-27)22-15-21(24(34)16-25(22)35)20-7-3-4-8-23(20)30/h3-4,7-12,15-16,34-35H,2,5-6,13-14,17H2,1H3,(H,31,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM20921 (5-[2,4-dihydroxy-5-(2-methylphenyl)phenyl]-N-ethyl...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1C Show InChI InChI=1S/C31H33N3O4/c1-3-32-31(37)29-28(22-13-11-21(12-14-22)19-34-15-7-4-8-16-34)30(38-33-29)25-17-24(26(35)18-27(25)36)23-10-6-5-9-20(23)2/h5-6,9-14,17-18,35-36H,3-4,7-8,15-16,19H2,1-2H3,(H,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265299 (US10413550, Example 75n | US11234987, Example 75n ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(CCc2cccc(C)c2)c(O)cc1O Show InChI InChI=1S/C33H38N4O4/c1-4-34-33(40)31-30(25-11-9-24(10-12-25)21-37-16-14-36(3)15-17-37)32(41-35-31)27-19-26(28(38)20-29(27)39)13-8-23-7-5-6-22(2)18-23/h5-7,9-12,18-20,38-39H,4,8,13-17,21H2,1-3H3,(H,34,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265302 (US10413550, Example 75p | US9718793, 75p) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(c(O)cc1O)-c1ccccc1 Show InChI InChI=1S/C29H31N3O4/c1-4-30-29(35)27-26(21-14-12-19(13-15-21)18-32(5-2)6-3)28(36-31-27)23-16-22(24(33)17-25(23)34)20-10-8-7-9-11-20/h7-17,33-34H,4-6,18H2,1-3H3,(H,30,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265305 (US10413550, Example 75q | US11234987, Example 75q ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1 Show InChI InChI=1S/C30H31FN4O4/c1-3-32-30(38)28-27(21-6-4-19(5-7-21)18-35-14-12-34(2)13-15-35)29(39-33-28)24-16-23(25(36)17-26(24)37)20-8-10-22(31)11-9-20/h4-11,16-17,36-37H,3,12-15,18H2,1-2H3,(H,32,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265308 (US10413550, Example 75r | US11234987, Example 75r ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+](CC)CC)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1 Show InChI InChI=1S/C29H30FN3O4/c1-4-31-29(36)27-26(20-9-7-18(8-10-20)17-33(5-2)6-3)28(37-32-27)23-15-22(24(34)16-25(23)35)19-11-13-21(30)14-12-19/h7-16,34-35H,4-6,17H2,1-3H3,(H,31,36)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265311 (US10413550, Example 75s | US11234987, Example 75s ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1C Show InChI InChI=1S/C31H34N4O4/c1-4-32-31(38)29-28(22-11-9-21(10-12-22)19-35-15-13-34(3)14-16-35)30(39-33-29)25-17-24(26(36)18-27(25)37)23-8-6-5-7-20(23)2/h5-12,17-18,36-37H,4,13-16,19H2,1-3H3,(H,32,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265314 (US10413550, Example 75t | US11234987, Example 75t ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+](CC)CC)cc1)-c1cc(c(O)cc1O)-c1ccccc1C Show InChI InChI=1S/C30H33N3O4/c1-5-31-30(36)28-27(21-14-12-20(13-15-21)18-33(6-2)7-3)29(37-32-28)24-16-23(25(34)17-26(24)35)22-11-9-8-10-19(22)4/h8-17,34-35H,5-7,18H2,1-4H3,(H,31,36)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265317 (US10413550, Example 75u | US11234987, Example 75u ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccn1 Show InChI InChI=1S/C28H28N4O5/c1-2-29-28(35)26-25(19-8-6-18(7-9-19)17-32-11-13-36-14-12-32)27(37-31-26)21-15-20(23(33)16-24(21)34)22-5-3-4-10-30-22/h3-10,15-16,33-34H,2,11-14,17H2,1H3,(H,29,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265320 (US10413550, Example 75v | US11234987, Example 75v ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(-c2c(C)noc2C)c(O)cc1O |(6.2,-6.76,;5.43,-5.43,;3.89,-5.43,;3.12,-4.1,;3.89,-2.76,;1.58,-4.1,;.67,-5.34,;-.79,-4.87,;-.79,-3.33,;.67,-2.85,;1.07,-1.36,;2.56,-.97,;2.95,.52,;1.87,1.61,;2.26,3.1,;1.18,4.19,;1.57,5.68,;.49,6.76,;-1,6.37,;-1.4,4.88,;-.31,3.79,;.38,1.21,;-.02,-.27,;-2.13,-2.56,;-2.13,-1.02,;-3.46,-.25,;-3.46,1.29,;-4.71,2.2,;-6.2,1.8,;-4.23,3.66,;-2.69,3.66,;-2.22,2.2,;-.73,1.8,;-4.8,-1.02,;-6.13,-.25,;-4.8,-2.56,;-3.46,-3.33,;-3.46,-4.87,)| Show InChI InChI=1S/C29H32N4O5/c1-4-30-29(36)27-26(20-10-8-19(9-11-20)16-33-12-6-5-7-13-33)28(38-32-27)22-14-21(23(34)15-24(22)35)25-17(2)31-37-18(25)3/h8-11,14-15,34-35H,4-7,12-13,16H2,1-3H3,(H,30,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265323 (US10413550, Example 76B | US11234987, Example 76B ...) Show SMILES CCNC(=O)c1onc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C19H17ClN2O5/c1-3-21-19(25)18-16(10-4-6-11(26-2)7-5-10)17(22-27-18)12-8-13(20)15(24)9-14(12)23/h4-9,23-24H,3H2,1-2H3,(H,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265326 (US10413550, Example 76C | US11234987, Example 76C ...) Show SMILES CCNC(=O)c1onc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C23H24ClN3O5/c1-2-25-23(30)22-20(21(26-32-22)16-11-17(24)19(29)12-18(16)28)15-5-3-14(4-6-15)13-27-7-9-31-10-8-27/h3-6,11-12,28-29H,2,7-10,13H2,1H3,(H,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM20924 (5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)C(C)(C)C Show InChI InChI=1S/C27H33N3O5/c1-5-28-26(33)24-23(18-8-6-17(7-9-18)16-30-10-12-34-13-11-30)25(35-29-24)19-14-20(27(2,3)4)22(32)15-21(19)31/h6-9,14-15,31-32H,5,10-13,16H2,1-4H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265332 (US10413550, Example 77b | US11234987, Example 77b ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(c(O)cc1O)C(C)(C)C Show InChI InChI=1S/C27H35N3O4/c1-7-28-26(33)24-23(18-12-10-17(11-13-18)16-30(8-2)9-3)25(34-29-24)19-14-20(27(4,5)6)22(32)15-21(19)31/h10-15,31-32H,7-9,16H2,1-6H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM20925 (5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)C(C)(C)C Show InChI InChI=1S/C28H35N3O4/c1-5-29-27(34)25-24(19-11-9-18(10-12-19)17-31-13-7-6-8-14-31)26(35-30-25)20-15-21(28(2,3)4)23(33)16-22(20)32/h9-12,15-16,32-33H,5-8,13-14,17H2,1-4H3,(H,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265338 (US10413550, Example 77d | US11234987, Example 77d ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(c(O)cc1O)C(C)(C)C Show InChI InChI=1S/C28H36N4O4/c1-6-29-27(35)25-24(19-9-7-18(8-10-19)17-32-13-11-31(5)12-14-32)26(36-30-25)20-15-21(28(2,3)4)23(34)16-22(20)33/h7-10,15-16,33-34H,6,11-14,17H2,1-5H3,(H,29,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265341 (US10413550, Example 77e | US11234987, Example 77e ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(F)cc1)-c1cc(c(O)cc1O)C(C)(C)C Show InChI InChI=1S/C22H23FN2O4/c1-5-24-21(28)19-18(12-6-8-13(23)9-7-12)20(29-25-19)14-10-15(22(2,3)4)17(27)11-16(14)26/h6-11,26-27H,5H2,1-4H3,(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265344 (US10413550, Example 77f | US11234987, Example 77f ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(OC)cc1)-c1cc(c(O)cc1O)C(C)(C)C Show InChI InChI=1S/C23H26N2O5/c1-6-24-22(28)20-19(13-7-9-14(29-5)10-8-13)21(30-25-20)15-11-16(23(2,3)4)18(27)12-17(15)26/h7-12,26-27H,6H2,1-5H3,(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM20928 (5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H33N3O4/c1-4-28-27(33)25-24(19-10-8-18(9-11-19)16-30-12-6-5-7-13-30)26(34-29-25)21-14-20(17(2)3)22(31)15-23(21)32/h8-11,14-15,17,31-32H,4-7,12-13,16H2,1-3H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM20927 (4-{4-[(diethylamino)methyl]phenyl}-5-[2,4-dihydrox...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H33N3O4/c1-6-27-26(32)24-23(18-11-9-17(10-12-18)15-29(7-2)8-3)25(33-28-24)20-13-19(16(4)5)21(30)14-22(20)31/h9-14,16,30-31H,6-8,15H2,1-5H3,(H,27,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265353 (US10413550, Example 78c | US11234987, Example 78c ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H34N4O4/c1-5-28-27(34)25-24(19-8-6-18(7-9-19)16-31-12-10-30(4)11-13-31)26(35-29-25)21-14-20(17(2)3)22(32)15-23(21)33/h6-9,14-15,17,32-33H,5,10-13,16H2,1-4H3,(H,28,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265356 (US10413550, Example 78d | US11234987, Example 78d ...) Show SMILES CCNCc1ccc(cc1)-c1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC Show InChI InChI=1S/C24H29N3O4/c1-5-25-13-15-7-9-16(10-8-15)21-22(24(30)26-6-2)27-31-23(21)18-11-17(14(3)4)19(28)12-20(18)29/h7-12,14,25,28-29H,5-6,13H2,1-4H3,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265359 (US10413550, Example 78e | US11234987, Example 78e ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNC(C)C)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C25H31N3O4/c1-6-26-25(31)23-22(17-9-7-16(8-10-17)13-27-15(4)5)24(32-28-23)19-11-18(14(2)3)20(29)12-21(19)30/h7-12,14-15,27,29-30H,6,13H2,1-5H3,(H,26,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair

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