Compile Data Set for Download or QSAR

Found 138 hits Enz. Inhib. hit(s) with all data for 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))	BDBM265080 (US10413550, Example 26 | US9718793, 26) Show SMILES CCNC(=O)c1noc(c1-c1ccc(cc1)N1CCNCC1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C22H23ClN4O4/c1-2-25-22(30)20-19(13-3-5-14(6-4-13)27-9-7-24-8-10-27)21(31-26-20)15-11-16(23)18(29)12-17(15)28/h3-6,11-12,24,28-29H,2,7-10H2,1H3,(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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM265083 (US10413550, Example 27 | US9718793, 27) Show SMILES CCNC(=O)c1noc(c1-c1ccc(F)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C18H14ClFN2O4/c1-2-21-18(25)16-15(9-3-5-10(20)6-4-9)17(26-22-16)11-7-12(19)14(24)8-13(11)23/h3-8,23-24H,2H2,1H3,(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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM265086 (US10413550, Example 27a | US9718793, 27a) Show SMILES CCNC(=O)c1noc(c1Br)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C12H10BrClN2O4/c1-2-15-12(19)10-9(13)11(20-16-10)5-3-6(14)8(18)4-7(5)17/h3-4,17-18H,2H2,1H3,(H,15,19)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM265092 (US10413550, Example 32 | US11234987, Example 32 | ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc2ccccc2c1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C22H17ClN2O4/c1-2-24-22(28)20-19(14-8-7-12-5-3-4-6-13(12)9-14)21(29-25-20)15-10-16(23)18(27)11-17(15)26/h3-11,26-27H,2H2,1H3,(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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM265095 (US10413550, Example 33 | US11234987, Example 33 | ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc2ncccc2c1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C21H16ClN3O4/c1-2-23-21(28)19-18(12-5-6-15-11(8-12)4-3-7-24-15)20(29-25-19)13-9-14(22)17(27)10-16(13)26/h3-10,26-27H,2H2,1H3,(H,23,28)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM265098 (US10413550, Example 34 | US11234987, Example 34 | ...) Show SMILES CCNC(=O)c1noc(c1-c1cccnc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C17H14ClN3O4/c1-2-20-17(24)15-14(9-4-3-5-19-8-9)16(25-21-15)10-6-11(18)13(23)7-12(10)22/h3-8,22-23H,2H2,1H3,(H,20,24)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM265101 (US10413550, Example 35 | US11234987, Example 35 | ...) Show SMILES CCNC(=O)c1noc(c1-c1cccc2ccccc12)-c1cc(Cl)c(O)cc1O |(5.22,-2.35,;3.88,-3.12,;2.55,-2.35,;1.21,-3.12,;1.98,-4.45,;-.12,-2.35,;-1.37,-3.25,;-2.61,-2.35,;-2.14,-.88,;-.6,-.88,;.17,.45,;-.6,1.78,;.17,3.12,;1.71,3.12,;2.48,1.78,;4.02,1.78,;4.79,.45,;4.02,-.88,;2.48,-.88,;1.71,.45,;-2.91,.45,;-2.14,1.78,;-2.91,3.12,;-2.14,4.45,;-4.45,3.12,;-5.22,4.45,;-5.22,1.78,;-4.45,.45,;-5.22,-.88,)| Show InChI InChI=1S/C22H17ClN2O4/c1-2-24-22(28)20-19(14-9-5-7-12-6-3-4-8-13(12)14)21(29-25-20)15-10-16(23)18(27)11-17(15)26/h3-11,26-27H,2H2,1H3,(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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM265104 (US10413550, Example 66 | US11234987, Example 66 | ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(cc1)N1CCN(C)CC1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C23H25ClN4O4/c1-3-25-23(31)21-20(22(32-26-21)16-12-17(24)19(30)13-18(16)29)14-4-6-15(7-5-14)28-10-8-27(2)9-11-28/h4-7,12-13,29-30H,3,8-11H2,1-2H3,(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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM20901 (5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-{[(2...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCCS(C)(=O)=O)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C22H24ClN3O6S/c1-3-25-22(29)20-19(21(32-26-20)15-10-16(23)18(28)11-17(15)27)14-6-4-13(5-7-14)12-24-8-9-33(2,30)31/h4-7,10-11,24,27-28H,3,8-9,12H2,1-2H3,(H,25,29)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM20900 (5-(5-chloro-2,4-dihydroxyphenyl)-4-{4-[(1,1-dioxo-...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCS(=O)(=O)CC2)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C23H24ClN3O6S/c1-2-25-23(30)21-20(22(33-26-21)16-11-17(24)19(29)12-18(16)28)15-5-3-14(4-6-15)13-27-7-9-34(31,32)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 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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM265113 (US11234987, Example 40 | US9718793, 40) Show SMILES CCNCc1noc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C19H19ClN2O4/c1-3-21-10-15-18(11-4-6-12(25-2)7-5-11)19(26-22-15)13-8-14(20)17(24)9-16(13)23/h4-9,21,23-24H,3,10H2,1-2H3	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM265116 (US10413550, Example 42 | US11234987, Example 42 | ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(cc1)C(C)N1CCOCC1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C24H26ClN3O5/c1-3-26-24(31)22-21(23(33-27-22)17-12-18(25)20(30)13-19(17)29)16-6-4-15(5-7-16)14(2)28-8-10-32-11-9-28/h4-7,12-14,29-30H,3,8-11H2,1-2H3,(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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM20903 (5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(mor...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C23H24ClN3O5/c1-2-25-23(30)21-20(22(32-26-21)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	DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB 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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM265122 (US10413550, Example 44 | US11234987, Example 44 | ...) Show SMILES CCNC(=O)c1noc(c1-c1cccc(c1)C(C)N1CCOCC1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C24H26ClN3O5/c1-3-26-24(31)22-21(23(33-27-22)17-12-18(25)20(30)13-19(17)29)16-6-4-5-15(11-16)14(2)28-7-9-32-10-8-28/h4-6,11-14,29-30H,3,7-10H2,1-2H3,(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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM20909 (5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(mor...) Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCOCC2)c1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C23H24ClN3O5/c1-2-25-23(30)21-20(22(32-26-21)16-11-17(24)19(29)12-18(16)28)15-5-3-4-14(10-15)13-27-6-8-31-9-7-27/h3-5,10-12,28-29H,2,6-9,13H2,1H3,(H,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem 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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM265128 (US10413550, Example 46 | US11234987, Example 46 | ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(CC2)C(C)=O)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C25H27ClN4O5/c1-3-27-25(34)23-22(24(35-28-23)18-12-19(26)21(33)13-20(18)32)17-6-4-16(5-7-17)14-29-8-10-30(11-9-29)15(2)31/h4-7,12-13,32-33H,3,8-11,14H2,1-2H3,(H,27,34)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM20902 (5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{4-[(4-...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C24H27ClN4O4/c1-3-26-24(32)22-21(23(33-27-22)17-12-18(25)20(31)13-19(17)30)16-6-4-15(5-7-16)14-29-10-8-28(2)9-11-29/h4-7,12-13,30-31H,3,8-11,14H2,1-2H3,(H,26,32)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM20910 (5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{3-[(4-...) Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCN(C)CC2)c1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C24H27ClN4O4/c1-3-26-24(32)22-21(23(33-27-22)17-12-18(25)20(31)13-19(17)30)16-6-4-5-15(11-16)14-29-9-7-28(2)8-10-29/h4-6,11-13,30-31H,3,7-10,14H2,1-2H3,(H,26,32)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM20904 (5-(5-chloro-2,4-dihydroxyphenyl)-4-{4-[(diethylami...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C23H26ClN3O4/c1-4-25-23(30)21-20(15-9-7-14(8-10-15)13-27(5-2)6-3)22(31-26-21)16-11-17(24)19(29)12-18(16)28/h7-12,28-29H,4-6,13H2,1-3H3,(H,25,30)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM265140 (US10413550, Example 50 | US11234987, Example 50 | ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCC(CO)CC2)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C25H28ClN3O5/c1-2-27-25(33)23-22(24(34-28-23)18-11-19(26)21(32)12-20(18)31)17-5-3-15(4-6-17)13-29-9-7-16(14-30)8-10-29/h3-6,11-12,16,30-32H,2,7-10,13-14H2,1H3,(H,27,33)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM265143 (US10413550, Example 51 | US11234987, Example 51 | ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCC(CCO)CC2)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C26H30ClN3O5/c1-2-28-26(34)24-23(25(35-29-24)19-13-20(27)22(33)14-21(19)32)18-5-3-17(4-6-18)15-30-10-7-16(8-11-30)9-12-31/h3-6,13-14,16,31-33H,2,7-12,15H2,1H3,(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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM20905 (5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pip...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C24H26ClN3O4/c1-2-26-24(31)22-21(23(32-27-22)17-12-18(25)20(30)13-19(17)29)16-8-6-15(7-9-16)14-28-10-4-3-5-11-28/h6-9,12-13,29-30H,2-5,10-11,14H2,1H3,(H,26,31)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM20906 (5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{4-[(4-...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCC(O)CC2)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C24H26ClN3O5/c1-2-26-24(32)22-21(23(33-27-22)17-11-18(25)20(31)12-19(17)30)15-5-3-14(4-6-15)13-28-9-7-16(29)8-10-28/h3-6,11-12,16,29-31H,2,7-10,13H2,1H3,(H,26,32)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM20907 (5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyr...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCC2)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C23H24ClN3O4/c1-2-25-23(30)21-20(15-7-5-14(6-8-15)13-27-9-3-4-10-27)22(31-26-21)16-11-17(24)19(29)12-18(16)28/h5-8,11-12,28-29H,2-4,9-10,13H2,1H3,(H,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem 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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM20913 (Isoxazole, 40d | N-ethyl-5-(5-ethyl-2,4-dihydroxyp...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC)c(O)cc1O Show InChI InChI=1S/C25H29N3O5/c1-3-17-13-19(21(30)14-20(17)29)24-22(23(27-33-24)25(31)26-4-2)18-7-5-16(6-8-18)15-28-9-11-32-12-10-28/h5-8,13-14,29-30H,3-4,9-12,15H2,1-2H3,(H,26,31)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM265158 (US10413550, Example 56 | US11234987, Example 56 | ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CC)c(O)cc1O Show InChI InChI=1S/C26H31N3O4/c1-3-18-14-20(22(31)15-21(18)30)25-23(24(28-33-25)26(32)27-4-2)19-10-8-17(9-11-19)16-29-12-6-5-7-13-29/h8-11,14-15,30-31H,3-7,12-13,16H2,1-2H3,(H,27,32)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM265161 (US10413550, Example 57 | US11234987, Example 57 | ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(CC)c(O)cc1O Show InChI InChI=1S/C26H32N4O4/c1-4-18-14-20(22(32)15-21(18)31)25-23(24(28-34-25)26(33)27-5-2)19-8-6-17(7-9-19)16-30-12-10-29(3)11-13-30/h6-9,14-15,31-32H,4-5,10-13,16H2,1-3H3,(H,27,33)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM265164 (US10413550, Example 58 | US11234987, Example 58 | ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCc2cccnc2)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C25H23ClN4O4/c1-2-29-25(33)23-22(24(34-30-23)18-10-19(26)21(32)11-20(18)31)17-7-5-15(6-8-17)12-28-14-16-4-3-9-27-13-16/h3-11,13,28,31-32H,2,12,14H2,1H3,(H,29,33)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM20908 (5-(5-chloro-2,4-dihydroxyphenyl)-4-{4-[(dimethylam...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(C)C)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C21H22ClN3O4/c1-4-23-21(28)19-18(13-7-5-12(6-8-13)11-25(2)3)20(29-24-19)14-9-15(22)17(27)10-16(14)26/h5-10,26-27H,4,11H2,1-3H3,(H,23,28)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM265170 (US10413550, Example 60 | US11234987, Example 60 | ...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(C)CCO)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C22H24ClN3O5/c1-3-24-22(30)20-19(14-6-4-13(5-7-14)12-26(2)8-9-27)21(31-25-20)15-10-16(23)18(29)11-17(15)28/h4-7,10-11,27-29H,3,8-9,12H2,1-2H3,(H,24,30)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM265173 (US10413550, Example 61 | US11234987, Example 61 | ...) Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCNC(=O)C2)c1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C23H23ClN4O5/c1-2-25-23(32)21-20(22(33-27-21)15-9-16(24)18(30)10-17(15)29)14-5-3-4-13(8-14)11-28-7-6-26-19(31)12-28/h3-5,8-10,29-30H,2,6-7,11-12H2,1H3,(H,25,32)(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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				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))	BDBM20911 (5-(5-chloro-2,4-dihydroxyphenyl)-4-{3-[(4-acetylpi...) Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCN(CC2)C(C)=O)c1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C25H27ClN4O5/c1-3-27-25(34)23-22(24(35-28-23)18-12-19(26)21(33)13-20(18)32)17-6-4-5-16(11-17)14-29-7-9-30(10-8-29)15(2)31/h4-6,11-13,32-33H,3,7-10,14H2,1-2H3,(H,27,34)	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 Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair

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