Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'foley' and Initial = 'kp'   

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/90-beta (Homo sapiens (Human))	BDBM131811 (US8835464, 13b | US9206162, 13b) Show SMILES CC(C)c1cc(-c2nn(COC(=O)C(N)Cc3ccccc3)c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O Show InChI InChI=1S/C30H31N5O5/c1-18(2)22-15-23(27(37)16-26(22)36)28-32-34(17-40-29(38)24(31)13-19-7-5-4-6-8-19)30(39)35(28)21-9-10-25-20(14-21)11-12-33(25)3/h4-12,14-16,18,24,36-37H,13,17,31H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131811 (US8835464, 13b | US9206162, 13b) Show SMILES CC(C)c1cc(-c2nn(COC(=O)C(N)Cc3ccccc3)c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O Show InChI InChI=1S/C30H31N5O5/c1-18(2)22-15-23(27(37)16-26(22)36)28-32-34(17-40-29(38)24(31)13-19-7-5-4-6-8-19)30(39)35(28)21-9-10-25-20(14-21)11-12-33(25)3/h4-12,14-16,18,24,36-37H,13,17,31H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131810 (US8835464, 12b | US9206162, 12b) Show SMILES CC(C)C(N)C(=O)OCn1nc(-c2cc(C(C)C)c(O)cc2O)n(-c2ccc3n(C)ccc3c2)c1=O Show InChI InChI=1S/C26H31N5O5/c1-14(2)18-11-19(22(33)12-21(18)32)24-28-30(13-36-25(34)23(27)15(3)4)26(35)31(24)17-6-7-20-16(10-17)8-9-29(20)5/h6-12,14-15,23,32-33H,13,27H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131810 (US8835464, 12b | US9206162, 12b) Show SMILES CC(C)C(N)C(=O)OCn1nc(-c2cc(C(C)C)c(O)cc2O)n(-c2ccc3n(C)ccc3c2)c1=O Show InChI InChI=1S/C26H31N5O5/c1-14(2)18-11-19(22(33)12-21(18)32)24-28-30(13-36-25(34)23(27)15(3)4)26(35)31(24)17-6-7-20-16(10-17)8-9-29(20)5/h6-12,14-15,23,32-33H,13,27H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131817 (US8835464, 1d | US9206162, 1d) Show SMILES COCCN(C)c1ccc(cn1)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C20H25N5O4/c1-12(2)14-9-15(17(27)10-16(14)26)19-22-23-20(28)25(19)13-5-6-18(21-11-13)24(3)7-8-29-4/h5-6,9-12,26-27H,7-8H2,1-4H3,(H,23,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131817 (US8835464, 1d | US9206162, 1d) Show SMILES COCCN(C)c1ccc(cn1)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C20H25N5O4/c1-12(2)14-9-15(17(27)10-16(14)26)19-22-23-20(28)25(19)13-5-6-18(21-11-13)24(3)7-8-29-4/h5-6,9-12,26-27H,7-8H2,1-4H3,(H,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131812 (US8835464, 14b | US9206162, 14b) Show SMILES CC(C)C(NC(=O)OC(C)(C)C)C(=O)OCn1nc(-c2cc(C(C)C)c(O)cc2O)n(-c2ccc3n(C)ccc3c2)c1=O Show InChI InChI=1S/C31H39N5O7/c1-17(2)21-14-22(25(38)15-24(21)37)27-33-35(16-42-28(39)26(18(3)4)32-29(40)43-31(5,6)7)30(41)36(27)20-9-10-23-19(13-20)11-12-34(23)8/h9-15,17-18,26,37-38H,16H2,1-8H3,(H,32,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131812 (US8835464, 14b | US9206162, 14b) Show SMILES CC(C)C(NC(=O)OC(C)(C)C)C(=O)OCn1nc(-c2cc(C(C)C)c(O)cc2O)n(-c2ccc3n(C)ccc3c2)c1=O Show InChI InChI=1S/C31H39N5O7/c1-17(2)21-14-22(25(38)15-24(21)37)27-33-35(16-42-28(39)26(18(3)4)32-29(40)43-31(5,6)7)30(41)36(27)20-9-10-23-19(13-20)11-12-34(23)8/h9-15,17-18,26,37-38H,16H2,1-8H3,(H,32,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131807 (BDBM194680 | US8835464, 9b) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc3n(ccc3c2)C(C)=O)c(O)cc1O Show InChI InChI=1S/C21H20N4O4/c1-11(2)15-9-16(19(28)10-18(15)27)20-22-23-21(29)25(20)14-4-5-17-13(8-14)6-7-24(17)12(3)26/h4-11,27-28H,1-3H3,(H,23,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131807 (BDBM194680 | US8835464, 9b) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc3n(ccc3c2)C(C)=O)c(O)cc1O Show InChI InChI=1S/C21H20N4O4/c1-11(2)15-9-16(19(28)10-18(15)27)20-22-23-21(29)25(20)14-4-5-17-13(8-14)6-7-24(17)12(3)26/h4-11,27-28H,1-3H3,(H,23,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131815 (US8835464, 17b | US9206162, 17b) Show SMILES CC(C)c1cc(-c2nn(C(=O)C(N)Cc3ccccc3)c(=O)n2-c2ccc3n(C)ccc3c2)c(OC(=O)C(N)Cc2ccccc2)cc1OC(=O)C(N)Cc1ccccc1 Show InChI InChI=1S/C47H47N7O6/c1-29(2)35-27-36(42(60-46(57)39(50)25-32-17-11-6-12-18-32)28-41(35)59-45(56)38(49)24-31-15-9-5-10-16-31)43-51-54(44(55)37(48)23-30-13-7-4-8-14-30)47(58)53(43)34-19-20-40-33(26-34)21-22-52(40)3/h4-22,26-29,37-39H,23-25,48-50H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131815 (US8835464, 17b | US9206162, 17b) Show SMILES CC(C)c1cc(-c2nn(C(=O)C(N)Cc3ccccc3)c(=O)n2-c2ccc3n(C)ccc3c2)c(OC(=O)C(N)Cc2ccccc2)cc1OC(=O)C(N)Cc1ccccc1 Show InChI InChI=1S/C47H47N7O6/c1-29(2)35-27-36(42(60-46(57)39(50)25-32-17-11-6-12-18-32)28-41(35)59-45(56)38(49)24-31-15-9-5-10-16-31)43-51-54(44(55)37(48)23-30-13-7-4-8-14-30)47(58)53(43)34-19-20-40-33(26-34)21-22-52(40)3/h4-22,26-29,37-39H,23-25,48-50H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131822 (US8835464, 6d | US8835464, 7d | US9206162, 7d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)C)c(O)cc1O Show InChI InChI=1S/C18H21N5O3/c1-10(2)12-7-13(15(25)8-14(12)24)17-20-21-18(26)23(17)11-5-6-16(19-9-11)22(3)4/h5-10,24-25H,1-4H3,(H,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131822 (US8835464, 6d | US8835464, 7d | US9206162, 7d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)C)c(O)cc1O Show InChI InChI=1S/C18H21N5O3/c1-10(2)12-7-13(15(25)8-14(12)24)17-20-21-18(26)23(17)11-5-6-16(19-9-11)22(3)4/h5-10,24-25H,1-4H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131833 (US8835464, 19d | US9206162, 19d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N2CCOCC2)c(O)cc1O Show InChI InChI=1S/C20H23N5O4/c1-12(2)14-9-15(17(27)10-16(14)26)19-22-23-20(28)25(19)13-3-4-18(21-11-13)24-5-7-29-8-6-24/h3-4,9-12,26-27H,5-8H2,1-2H3,(H,23,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131833 (US8835464, 19d | US9206162, 19d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N2CCOCC2)c(O)cc1O Show InChI InChI=1S/C20H23N5O4/c1-12(2)14-9-15(17(27)10-16(14)26)19-22-23-20(28)25(19)13-3-4-18(21-11-13)24-5-7-29-8-6-24/h3-4,9-12,26-27H,5-8H2,1-2H3,(H,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131814 (US8835464, 16b | US9206162, 16b) Show SMILES CC(N)C(=O)Oc1cc(OC(=O)C(C)N)c(cc1C(C)C)-c1nn(C(=O)C(C)N)c(=O)n1-c1ccc2n(C)ccc2c1 Show InChI InChI=1S/C29H35N7O6/c1-14(2)20-12-21(24(42-28(39)17(5)32)13-23(20)41-27(38)16(4)31)25-33-36(26(37)15(3)30)29(40)35(25)19-7-8-22-18(11-19)9-10-34(22)6/h7-17H,30-32H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131814 (US8835464, 16b | US9206162, 16b) Show SMILES CC(N)C(=O)Oc1cc(OC(=O)C(C)N)c(cc1C(C)C)-c1nn(C(=O)C(C)N)c(=O)n1-c1ccc2n(C)ccc2c1 Show InChI InChI=1S/C29H35N7O6/c1-14(2)20-12-21(24(42-28(39)17(5)32)13-23(20)41-27(38)16(4)31)25-33-36(26(37)15(3)30)29(40)35(25)19-7-8-22-18(11-19)9-10-34(22)6/h7-17H,30-32H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131822 (US8835464, 6d | US8835464, 7d | US9206162, 7d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)C)c(O)cc1O Show InChI InChI=1S/C18H21N5O3/c1-10(2)12-7-13(15(25)8-14(12)24)17-20-21-18(26)23(17)11-5-6-16(19-9-11)22(3)4/h5-10,24-25H,1-4H3,(H,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131806 (BDBM194677 | US8835464, 7b) Show SMILES CC(C)c1cc(-c2nnc(SSc3nnc(-c4cc(C(C)C)c(O)cc4O)n3-c3ccc(cc3)N(C)C)n2-c2ccc(cc2)N(C)C)c(O)cc1O Show InChI InChI=1S/C38H42N8O4S2/c1-21(2)27-17-29(33(49)19-31(27)47)35-39-41-37(45(35)25-13-9-23(10-14-25)43(5)6)51-52-38-42-40-36(30-18-28(22(3)4)32(48)20-34(30)50)46(38)26-15-11-24(12-16-26)44(7)8/h9-22,47-50H,1-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131806 (BDBM194677 | US8835464, 7b) Show SMILES CC(C)c1cc(-c2nnc(SSc3nnc(-c4cc(C(C)C)c(O)cc4O)n3-c3ccc(cc3)N(C)C)n2-c2ccc(cc2)N(C)C)c(O)cc1O Show InChI InChI=1S/C38H42N8O4S2/c1-21(2)27-17-29(33(49)19-31(27)47)35-39-41-37(45(35)25-13-9-23(10-14-25)43(5)6)51-52-38-42-40-36(30-18-28(22(3)4)32(48)20-34(30)50)46(38)26-15-11-24(12-16-26)44(7)8/h9-22,47-50H,1-8H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131822 (US8835464, 6d | US8835464, 7d | US9206162, 7d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)C)c(O)cc1O Show InChI InChI=1S/C18H21N5O3/c1-10(2)12-7-13(15(25)8-14(12)24)17-20-21-18(26)23(17)11-5-6-16(19-9-11)22(3)4/h5-10,24-25H,1-4H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131813 (US8835464, 15b | US9206162, 15b) Show SMILES CC(C)c1cc(-c2nn(C(=O)CN)c(=O)n2-c2ccc3n(C)ccc3c2)c(OC(=O)CN)cc1OC(=O)CN Show InChI InChI=1S/C26H29N7O6/c1-14(2)17-9-18(21(39-24(36)13-29)10-20(17)38-23(35)12-28)25-30-33(22(34)11-27)26(37)32(25)16-4-5-19-15(8-16)6-7-31(19)3/h4-10,14H,11-13,27-29H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131813 (US8835464, 15b | US9206162, 15b) Show SMILES CC(C)c1cc(-c2nn(C(=O)CN)c(=O)n2-c2ccc3n(C)ccc3c2)c(OC(=O)CN)cc1OC(=O)CN Show InChI InChI=1S/C26H29N7O6/c1-14(2)17-9-18(21(39-24(36)13-29)10-20(17)38-23(35)12-28)25-30-33(22(34)11-27)26(37)32(25)16-4-5-19-15(8-16)6-7-31(19)3/h4-10,14H,11-13,27-29H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131832 (US8835464, 17d | US9206162, 17d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(cc2)N(C)S(C)(=O)=O)c(O)cc1O Show InChI InChI=1S/C19H22N4O5S/c1-11(2)14-9-15(17(25)10-16(14)24)18-20-21-19(26)23(18)13-7-5-12(6-8-13)22(3)29(4,27)28/h5-11,24-25H,1-4H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131832 (US8835464, 17d | US9206162, 17d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(cc2)N(C)S(C)(=O)=O)c(O)cc1O Show InChI InChI=1S/C19H22N4O5S/c1-11(2)14-9-15(17(25)10-16(14)24)18-20-21-19(26)23(18)13-7-5-12(6-8-13)22(3)29(4,27)28/h5-11,24-25H,1-4H3,(H,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131827 (US8835464, 11d | US9206162, 11d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(C)c(c2)S(=O)(=O)N(C)C)c(O)cc1O Show InChI InChI=1S/C20H24N4O5S/c1-11(2)14-9-15(17(26)10-16(14)25)19-21-22-20(27)24(19)13-7-6-12(3)18(8-13)30(28,29)23(4)5/h6-11,25-26H,1-5H3,(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131827 (US8835464, 11d | US9206162, 11d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(C)c(c2)S(=O)(=O)N(C)C)c(O)cc1O Show InChI InChI=1S/C20H24N4O5S/c1-11(2)14-9-15(17(26)10-16(14)25)19-21-22-20(27)24(19)13-7-6-12(3)18(8-13)30(28,29)23(4)5/h6-11,25-26H,1-5H3,(H,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131816 (US8835464, 18b | US9206162, 18b) Show SMILES COCCC(=O)Oc1nnc(-c2cc(C(C)C)c(OC(=O)CCOC)cc2O)n1-c1ccc2n(C)ccc2c1 Show InChI InChI=1S/C28H32N4O7/c1-17(2)20-15-21(23(33)16-24(20)38-25(34)9-12-36-4)27-29-30-28(39-26(35)10-13-37-5)32(27)19-6-7-22-18(14-19)8-11-31(22)3/h6-8,11,14-17,33H,9-10,12-13H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131809 (BDBM194684 | US8835464, 11b) Show SMILES COCCC(=O)n1ccc2cc(ccc12)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H24N4O5/c1-13(2)16-11-17(20(29)12-19(16)28)22-24-25-23(31)27(22)15-4-5-18-14(10-15)6-8-26(18)21(30)7-9-32-3/h4-6,8,10-13,28-29H,7,9H2,1-3H3,(H,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131816 (US8835464, 18b | US9206162, 18b) Show SMILES COCCC(=O)Oc1nnc(-c2cc(C(C)C)c(OC(=O)CCOC)cc2O)n1-c1ccc2n(C)ccc2c1 Show InChI InChI=1S/C28H32N4O7/c1-17(2)20-15-21(23(33)16-24(20)38-25(34)9-12-36-4)27-29-30-28(39-26(35)10-13-37-5)32(27)19-6-7-22-18(14-19)8-11-31(22)3/h6-8,11,14-17,33H,9-10,12-13H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131809 (BDBM194684 | US8835464, 11b) Show SMILES COCCC(=O)n1ccc2cc(ccc12)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H24N4O5/c1-13(2)16-11-17(20(29)12-19(16)28)22-24-25-23(31)27(22)15-4-5-18-14(10-15)6-8-26(18)21(30)7-9-32-3/h4-6,8,10-13,28-29H,7,9H2,1-3H3,(H,25,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131818 (US8835464, 2d | US9206162, 2d) Show SMILES COC(CN(C)c1ccc(cn1)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O)OC Show InChI InChI=1S/C21H27N5O5/c1-12(2)14-8-15(17(28)9-16(14)27)20-23-24-21(29)26(20)13-6-7-18(22-10-13)25(3)11-19(30-4)31-5/h6-10,12,19,27-28H,11H2,1-5H3,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131818 (US8835464, 2d | US9206162, 2d) Show SMILES COC(CN(C)c1ccc(cn1)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O)OC Show InChI InChI=1S/C21H27N5O5/c1-12(2)14-8-15(17(28)9-16(14)27)20-23-24-21(29)26(20)13-6-7-18(22-10-13)25(3)11-19(30-4)31-5/h6-10,12,19,27-28H,11H2,1-5H3,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131808 (BDBM194682 | US8835464, 10b) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc3n(ccc3c2)C(=O)CCNC(=O)OC(C)(C)C)c(O)cc1O Show InChI InChI=1S/C27H31N5O6/c1-15(2)18-13-19(22(34)14-21(18)33)24-29-30-25(36)32(24)17-6-7-20-16(12-17)9-11-31(20)23(35)8-10-28-26(37)38-27(3,4)5/h6-7,9,11-15,33-34H,8,10H2,1-5H3,(H,28,37)(H,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131808 (BDBM194682 | US8835464, 10b) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc3n(ccc3c2)C(=O)CCNC(=O)OC(C)(C)C)c(O)cc1O Show InChI InChI=1S/C27H31N5O6/c1-15(2)18-13-19(22(34)14-21(18)33)24-29-30-25(36)32(24)17-6-7-20-16(12-17)9-11-31(20)23(35)8-10-28-26(37)38-27(3,4)5/h6-7,9,11-15,33-34H,8,10H2,1-5H3,(H,28,37)(H,30,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<110	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131834 (US8835464, 20d | US9206162, 20d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(OCCN3CCOCC3)nc2)c(O)cc1O Show InChI InChI=1S/C22H27N5O5/c1-14(2)16-11-17(19(29)12-18(16)28)21-24-25-22(30)27(21)15-3-4-20(23-13-15)32-10-7-26-5-8-31-9-6-26/h3-4,11-14,28-29H,5-10H2,1-2H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131834 (US8835464, 20d | US9206162, 20d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(OCCN3CCOCC3)nc2)c(O)cc1O Show InChI InChI=1S/C22H27N5O5/c1-14(2)16-11-17(19(29)12-18(16)28)21-24-25-22(30)27(21)15-3-4-20(23-13-15)32-10-7-26-5-8-31-9-6-26/h3-4,11-14,28-29H,5-10H2,1-2H3,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131819 (US8835464, 3d | US9206162, 3d) Show SMILES COCCN(C)c1ccc(c[n+]1[O-])-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C20H25N5O5/c1-12(2)14-9-15(17(27)10-16(14)26)19-21-22-20(28)25(19)13-5-6-18(24(29)11-13)23(3)7-8-30-4/h5-6,9-12,26-27H,7-8H2,1-4H3,(H,22,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131819 (US8835464, 3d | US9206162, 3d) Show SMILES COCCN(C)c1ccc(c[n+]1[O-])-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C20H25N5O5/c1-12(2)14-9-15(17(27)10-16(14)26)19-21-22-20(28)25(19)13-5-6-18(24(29)11-13)23(3)7-8-30-4/h5-6,9-12,26-27H,7-8H2,1-4H3,(H,22,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131828 (US8835464, 12d | US8835464, 13d | US9206162, 13d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(N(C)C)c(c2)S(N)(=O)=O)c(O)cc1O Show InChI InChI=1S/C19H23N5O5S/c1-10(2)12-8-13(16(26)9-15(12)25)18-21-22-19(27)24(18)11-5-6-14(23(3)4)17(7-11)30(20,28)29/h5-10,25-26H,1-4H3,(H,22,27)(H2,20,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	207	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131828 (US8835464, 12d | US8835464, 13d | US9206162, 13d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(N(C)C)c(c2)S(N)(=O)=O)c(O)cc1O Show InChI InChI=1S/C19H23N5O5S/c1-10(2)12-8-13(16(26)9-15(12)25)18-21-22-19(27)24(18)11-5-6-14(23(3)4)17(7-11)30(20,28)29/h5-10,25-26H,1-4H3,(H,22,27)(H2,20,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	207	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131824 (US8835464, 8d | US8835464, 9d | US9206162, 9d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N2CCN(C)CC2)c(O)cc1O Show InChI InChI=1S/C21H26N6O3/c1-13(2)15-10-16(18(29)11-17(15)28)20-23-24-21(30)27(20)14-4-5-19(22-12-14)26-8-6-25(3)7-9-26/h4-5,10-13,28-29H,6-9H2,1-3H3,(H,24,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131821 (US8835464, 5d | US9206162, 5d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)CCN(C)C)c(O)cc1O Show InChI InChI=1S/C21H28N6O3/c1-13(2)15-10-16(18(29)11-17(15)28)20-23-24-21(30)27(20)14-6-7-19(22-12-14)26(5)9-8-25(3)4/h6-7,10-13,28-29H,8-9H2,1-5H3,(H,24,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131821 (US8835464, 5d | US9206162, 5d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)CCN(C)C)c(O)cc1O Show InChI InChI=1S/C21H28N6O3/c1-13(2)15-10-16(18(29)11-17(15)28)20-23-24-21(30)27(20)14-6-7-19(22-12-14)26(5)9-8-25(3)4/h6-7,10-13,28-29H,8-9H2,1-5H3,(H,24,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131824 (US8835464, 8d | US8835464, 9d | US9206162, 9d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N2CCN(C)CC2)c(O)cc1O Show InChI InChI=1S/C21H26N6O3/c1-13(2)15-10-16(18(29)11-17(15)28)20-23-24-21(30)27(20)14-4-5-19(22-12-14)26-8-6-25(3)7-9-26/h4-5,10-13,28-29H,6-9H2,1-3H3,(H,24,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM131824 (US8835464, 8d | US8835464, 9d | US9206162, 9d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N2CCN(C)CC2)c(O)cc1O Show InChI InChI=1S/C21H26N6O3/c1-13(2)15-10-16(18(29)11-17(15)28)20-23-24-21(30)27(20)14-4-5-19(22-12-14)26-8-6-25(3)7-9-26/h4-5,10-13,28-29H,6-9H2,1-3H3,(H,24,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	243	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131824 (US8835464, 8d | US8835464, 9d | US9206162, 9d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N2CCN(C)CC2)c(O)cc1O Show InChI InChI=1S/C21H26N6O3/c1-13(2)15-10-16(18(29)11-17(15)28)20-23-24-21(30)27(20)14-4-5-19(22-12-14)26-8-6-25(3)7-9-26/h4-5,10-13,28-29H,6-9H2,1-3H3,(H,24,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	243	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131831 (US8835464, 15d | US9206162, 15d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2cccc(c2)S(=O)(=O)N2CCOCC2)c(O)cc1O Show InChI InChI=1S/C21H24N4O6S/c1-13(2)16-11-17(19(27)12-18(16)26)20-22-23-21(28)25(20)14-4-3-5-15(10-14)32(29,30)24-6-8-31-9-7-24/h3-5,10-13,26-27H,6-9H2,1-2H3,(H,23,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM131820 (US8835464, 4d | US9206162, 4d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)CC(O)=O)c(O)cc1O Show InChI InChI=1S/C19H21N5O5/c1-10(2)12-6-13(15(26)7-14(12)25)18-21-22-19(29)24(18)11-4-5-16(20-8-11)23(3)9-17(27)28/h4-8,10,25-26H,9H2,1-3H3,(H,22,29)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 106 total )  |  Next  |  Last  >>

Jump to: