Compile Data Set for Download or QSAR

Found 217 hits with Last Name = 'brunetti' and Initial = 't'   

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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC6				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50297445 (CHEMBL561483 | N-hydroxy-7,7-bis(7-methoxy-1H-indo...) Show SMILES COc1cccc2c(c[nH]c12)C(CCCCCC(=O)NO)c1c[nH]c2c(OC)cccc12 Show InChI InChI=1S/C25H29N3O4/c1-31-21-11-6-9-17-19(14-26-24(17)21)16(8-4-3-5-13-23(29)28-30)20-15-27-25-18(20)10-7-12-22(25)32-2/h6-7,9-12,14-16,26-27,30H,3-5,8,13H2,1-2H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Sigma-Tau Research and Development Curated by ChEMBL					Assay Description Inhibition of human HDAC6 by fluroimetry				Bioorg Med Chem Lett 19: 2840-3 (2009) Checked by Author Article DOI: 10.1016/j.bmcl.2009.03.101 BindingDB Entry DOI: 10.7270/Q2PN95PT
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50007730 (CHEMBL3233755) Show SMILES CC(C)c1cc(C(=O)N2CCc3onc(C(=O)NCCCCCCC(=O)NO)c3C2)c(O)cc1O Show InChI InChI=1S/C24H32N4O7/c1-14(2)15-11-16(19(30)12-18(15)29)24(33)28-10-8-20-17(13-28)22(27-35-20)23(32)25-9-6-4-3-5-7-21(31)26-34/h11-12,14,29-30,34H,3-10,13H2,1-2H3,(H,25,32)(H,26,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of human HDAC-6 using RHKK(Ac) as substrate				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361691 (CHEMBL1940934) Show SMILES CCNC(=O)c1noc(c1NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1)-c1cc(C(C)C)c(O)cc1O |r,wU:13.13,wD:16.17,(26.07,-47.21,;24.53,-47.2,;23.76,-45.87,;22.22,-45.86,;21.56,-44.47,;21.35,-47.13,;21.87,-48.58,;20.65,-49.52,;19.38,-48.65,;19.81,-47.18,;18.87,-45.96,;17.34,-45.92,;16.54,-47.24,;16.59,-44.57,;15.05,-44.55,;14.31,-43.19,;15.12,-41.87,;14.38,-40.52,;12.84,-40.48,;12.03,-41.79,;13.52,-42.19,;12.43,-43.27,;10.5,-41.75,;9.77,-40.4,;8.23,-40.36,;7.42,-41.67,;5.88,-41.63,;8.17,-43.03,;9.7,-43.06,;16.66,-41.91,;17.39,-43.26,;18.05,-49.42,;16.71,-48.66,;15.38,-49.43,;14.05,-48.66,;14.05,-47.12,;12.71,-49.43,;15.38,-50.97,;14.05,-51.74,;16.71,-51.74,;18.05,-50.97,;19.39,-51.74,)| Show InChI InChI=1S/C29H35FN4O7S/c1-4-31-29(38)26-25(27(41-34-26)22-13-21(16(2)3)23(35)14-24(22)36)33-28(37)18-7-5-17(6-8-18)15-32-42(39,40)20-11-9-19(30)10-12-20/h9-14,16-18,32,35-36H,4-8,15H2,1-3H3,(H,31,38)(H,33,37)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50297444 (CHEMBL564876 | N-hydroxy-7,7-di(1H-indol-3-yl)hept...) Show SMILES ONC(=O)CCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI InChI=1S/C23H25N3O2/c27-23(26-28)13-3-1-2-8-16(19-14-24-21-11-6-4-9-17(19)21)20-15-25-22-12-7-5-10-18(20)22/h4-7,9-12,14-16,24-25,28H,1-3,8,13H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sigma-Tau Research and Development Curated by ChEMBL					Assay Description Inhibition of human HDAC6 by fluroimetry				Bioorg Med Chem Lett 19: 2840-3 (2009) Checked by Author Article DOI: 10.1016/j.bmcl.2009.03.101 BindingDB Entry DOI: 10.7270/Q2PN95PT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC1				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361698 (CHEMBL1941047) Show SMILES CCNC(=O)c1noc(c1NC(=O)[C@@H]1CC[C@@H](CC1)N1CCOCC1)-c1cc(C(C)C)c(O)cc1O |r,wU:13.13,16.20,(44.11,-32.81,;42.57,-32.8,;41.81,-31.46,;40.27,-31.46,;39.6,-30.07,;39.4,-32.73,;39.91,-34.18,;38.69,-35.12,;37.42,-34.24,;37.86,-32.77,;36.92,-31.55,;35.38,-31.52,;34.58,-32.83,;34.64,-30.17,;35.44,-28.86,;34.71,-27.51,;33.17,-27.47,;32.37,-28.79,;33.1,-30.14,;32.44,-26.12,;33.25,-24.81,;32.52,-23.46,;30.98,-23.41,;30.17,-24.73,;30.9,-26.09,;36.09,-35.02,;34.75,-34.25,;33.43,-35.02,;32.09,-34.25,;32.09,-32.71,;30.76,-35.02,;33.42,-36.57,;32.09,-37.34,;34.76,-37.34,;36.1,-36.57,;37.43,-37.33,)| Show InChI InChI=1S/C26H36N4O6/c1-4-27-26(34)23-22(24(36-29-23)19-13-18(15(2)3)20(31)14-21(19)32)28-25(33)16-5-7-17(8-6-16)30-9-11-35-12-10-30/h13-17,31-32H,4-12H2,1-3H3,(H,27,34)(H,28,33)/t16-,17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361693 (CHEMBL1938422) Show SMILES CCNC(=O)c1noc(c1NC(=O)[C@H]1CC[C@H](CNC)CC1)-c1cc(C(C)C)c(O)cc1O |r,wU:13.13,wD:16.17,(7.43,-35.36,;5.89,-35.35,;5.13,-34.01,;3.59,-34.01,;2.92,-32.62,;2.72,-35.28,;3.23,-36.73,;2.01,-37.67,;.74,-36.79,;1.18,-35.32,;.24,-34.1,;-1.3,-34.07,;-2.1,-35.39,;-2.04,-32.72,;-3.58,-32.69,;-4.32,-31.33,;-3.52,-30.02,;-4.25,-28.66,;-5.79,-28.63,;-6.53,-27.27,;-1.98,-30.06,;-1.24,-31.41,;-.59,-37.57,;-1.92,-36.8,;-3.25,-37.57,;-4.59,-36.8,;-4.59,-35.26,;-5.92,-37.58,;-3.26,-39.12,;-4.59,-39.89,;-1.92,-39.89,;-.58,-39.12,;.75,-39.89,)| Show InChI InChI=1S/C24H34N4O5/c1-5-26-24(32)21-20(27-23(31)15-8-6-14(7-9-15)12-25-4)22(33-28-21)17-10-16(13(2)3)18(29)11-19(17)30/h10-11,13-15,25,29-30H,5-9,12H2,1-4H3,(H,26,32)(H,27,31)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361700 (CHEMBL1941049) Show SMILES CCNC(=O)c1noc(c1NC(=O)[C@H]1CC[C@H](CN2CCOCC2)CC1)-c1cc(C(C)C)c(O)cc1O |r,wU:13.13,wD:16.17,(25.27,-47.09,;23.73,-47.08,;22.96,-45.74,;21.42,-45.74,;20.76,-44.35,;20.55,-47.01,;21.07,-48.46,;19.85,-49.4,;18.57,-48.52,;19.01,-47.05,;18.07,-45.83,;16.53,-45.8,;15.74,-47.11,;15.79,-44.45,;14.26,-44.42,;13.52,-43.07,;14.32,-41.75,;13.59,-40.4,;12.05,-40.36,;11.31,-39.01,;9.78,-38.97,;8.97,-40.28,;9.7,-41.64,;11.25,-41.68,;15.86,-41.79,;16.6,-43.14,;17.24,-49.3,;15.91,-48.53,;14.58,-49.3,;13.25,-48.53,;13.25,-46.99,;11.91,-49.3,;14.58,-50.85,;13.24,-51.62,;15.91,-51.62,;17.25,-50.85,;18.59,-51.61,)| Show InChI InChI=1S/C27H38N4O6/c1-4-28-27(35)24-23(25(37-30-24)20-13-19(16(2)3)21(32)14-22(20)33)29-26(34)18-7-5-17(6-8-18)15-31-9-11-36-12-10-31/h13-14,16-18,32-33H,4-12,15H2,1-3H3,(H,28,35)(H,29,34)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361719 (CHEMBL1941068) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1sc(C)nc1C)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C21H24N4O5S/c1-6-22-20(28)17-16(24-21(29)19-10(4)23-11(5)31-19)18(30-25-17)13-7-12(9(2)3)14(26)8-15(13)27/h7-9,26-27H,6H2,1-5H3,(H,22,28)(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC3				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361697 (CHEMBL1940949) Show SMILES CCNC(=O)c1noc(c1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)C1)-c1cc(C(C)C)c(O)cc1O |r| Show InChI InChI=1S/C26H36N4O6/c1-4-27-26(34)23-22(24(36-29-23)19-12-18(15(2)3)20(31)13-21(19)32)28-25(33)17-6-5-16(11-17)14-30-7-9-35-10-8-30/h12-13,15-17,31-32H,4-11,14H2,1-3H3,(H,27,34)(H,28,33)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC4				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361695 (CHEMBL1940944) Show SMILES CCNC(=O)c1noc(c1NC(=O)[C@@H]1CC[C@H](CO)C1)-c1cc(C(C)C)c(O)cc1O |r| Show InChI InChI=1S/C22H29N3O6/c1-4-23-22(30)19-18(24-21(29)13-6-5-12(7-13)10-26)20(31-25-19)15-8-14(11(2)3)16(27)9-17(15)28/h8-9,11-13,26-28H,4-7,10H2,1-3H3,(H,23,30)(H,24,29)/t12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361733 (CHEMBL1940943) Show SMILES CCNC(=O)c1noc(c1NC(=O)C1CC(O)C1)-c1cc(C(C)C)c(O)cc1O |(4.32,.4,;2.78,.4,;2.02,1.74,;.48,1.75,;-.19,3.13,;-.39,.47,;.12,-.98,;-1.1,-1.92,;-2.37,-1.04,;-1.93,.43,;-2.87,1.65,;-4.41,1.69,;-5.21,.37,;-5.15,3.04,;-4.72,4.52,;-6.2,4.95,;-6.94,6.3,;-6.63,3.47,;-3.7,-1.81,;-5.04,-1.05,;-6.36,-1.82,;-7.7,-1.05,;-7.7,.49,;-9.03,-1.82,;-6.37,-3.36,;-7.7,-4.13,;-5.03,-4.14,;-3.7,-3.36,;-2.36,-4.13,)| Show InChI InChI=1S/C20H25N3O6/c1-4-21-20(28)17-16(22-19(27)10-5-11(24)6-10)18(29-23-17)13-7-12(9(2)3)14(25)8-15(13)26/h7-11,24-26H,4-6H2,1-3H3,(H,21,28)(H,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361696 (CHEMBL1940947) Show SMILES CCNC(=O)c1noc(c1NC(=O)[C@@H]1CC[C@H](CO)CC1)-c1cc(C(C)C)c(O)cc1O |r,wU:13.13,16.17,(19.44,-14.36,;17.9,-14.35,;17.14,-13.01,;15.6,-13.01,;14.93,-11.62,;14.73,-14.28,;15.24,-15.73,;14.02,-16.67,;12.75,-15.79,;13.19,-14.32,;12.25,-13.1,;10.71,-13.07,;9.91,-14.39,;9.97,-11.72,;10.76,-10.41,;10.03,-9.06,;8.49,-9.02,;7.75,-7.66,;6.22,-7.63,;7.69,-10.33,;8.42,-11.69,;11.42,-16.57,;10.08,-15.8,;8.76,-16.57,;7.42,-15.8,;7.42,-14.26,;6.09,-16.58,;8.75,-18.12,;7.42,-18.89,;10.09,-18.89,;11.42,-18.12,;12.76,-18.89,)| Show InChI InChI=1S/C23H31N3O6/c1-4-24-23(31)20-19(25-22(30)14-7-5-13(11-27)6-8-14)21(32-26-20)16-9-15(12(2)3)17(28)10-18(16)29/h9-10,12-14,27-29H,4-8,11H2,1-3H3,(H,24,31)(H,25,30)/t13-,14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361727 (CHEMBL1941076) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc2ncoc2c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H22N4O6/c1-4-24-23(31)20-19(26-22(30)12-5-6-15-18(7-12)32-10-25-15)21(33-27-20)14-8-13(11(2)3)16(28)9-17(14)29/h5-11,28-29H,4H2,1-3H3,(H,24,31)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC11				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC5				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50297446 (CHEMBL561604 | N-hydroxy-7,7-bis(5-nitro-1H-indol-...) Show SMILES ONC(=O)CCCCCC(c1c[nH]c2ccc(cc12)[N+]([O-])=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C23H23N5O6/c29-23(26-30)5-3-1-2-4-16(19-12-24-21-8-6-14(27(31)32)10-17(19)21)20-13-25-22-9-7-15(28(33)34)11-18(20)22/h6-13,16,24-25,30H,1-5H2,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Sigma-Tau Research and Development Curated by ChEMBL					Assay Description Inhibition of human HDAC3 by fluroimetry				Bioorg Med Chem Lett 19: 2840-3 (2009) Checked by Author Article DOI: 10.1016/j.bmcl.2009.03.101 BindingDB Entry DOI: 10.7270/Q2PN95PT
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361713 (CHEMBL1941062) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1cc(on1)C(C)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C21H22N4O7/c1-5-22-21(30)18-17(23-20(29)13-7-16(10(4)26)31-24-13)19(32-25-18)12-6-11(9(2)3)14(27)8-15(12)28/h6-9,27-28H,5H2,1-4H3,(H,22,30)(H,23,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361699 (CHEMBL1941048) Show SMILES CCNC(=O)c1noc(c1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)CC1)-c1cc(C(C)C)c(O)cc1O |r,wU:13.13,16.17,(7.11,-47.58,;5.57,-47.58,;4.81,-46.24,;3.27,-46.24,;2.6,-44.85,;2.4,-47.51,;2.91,-48.96,;1.69,-49.9,;.42,-49.02,;.86,-47.55,;-.08,-46.33,;-1.62,-46.3,;-2.42,-47.61,;-2.36,-44.95,;-1.56,-43.64,;-2.29,-42.29,;-3.83,-42.25,;-4.57,-40.9,;-6.11,-40.86,;-6.84,-39.51,;-8.37,-39.47,;-9.19,-40.78,;-8.45,-42.13,;-6.91,-42.18,;-4.63,-43.57,;-3.9,-44.92,;-.91,-49.79,;-2.24,-49.03,;-3.57,-49.8,;-4.91,-49.03,;-4.91,-47.49,;-6.24,-49.8,;-3.57,-51.35,;-4.91,-52.11,;-2.24,-52.12,;-.9,-51.34,;.43,-52.11,)| Show InChI InChI=1S/C27H38N4O6/c1-4-28-27(35)24-23(25(37-30-24)20-13-19(16(2)3)21(32)14-22(20)33)29-26(34)18-7-5-17(6-8-18)15-31-9-11-36-12-10-31/h13-14,16-18,32-33H,4-12,15H2,1-3H3,(H,28,35)(H,29,34)/t17-,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC10				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361726 (CHEMBL1941075) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc2ccsc2c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C24H23N3O5S/c1-4-25-24(31)21-20(26-23(30)14-6-5-13-7-8-33-19(13)9-14)22(32-27-21)16-10-15(12(2)3)17(28)11-18(16)29/h5-12,28-29H,4H2,1-3H3,(H,25,31)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361712 (CHEMBL1941061) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1cc(CC)on1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C21H24N4O6/c1-5-11-7-14(24-30-11)20(28)23-17-18(21(29)22-6-2)25-31-19(17)13-8-12(10(3)4)15(26)9-16(13)27/h7-10,26-27H,5-6H2,1-4H3,(H,22,29)(H,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50297446 (CHEMBL561604 | N-hydroxy-7,7-bis(5-nitro-1H-indol-...) Show SMILES ONC(=O)CCCCCC(c1c[nH]c2ccc(cc12)[N+]([O-])=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C23H23N5O6/c29-23(26-30)5-3-1-2-4-16(19-12-24-21-8-6-14(27(31)32)10-17(19)21)20-13-25-22-9-7-15(28(33)34)11-18(20)22/h6-13,16,24-25,30H,1-5H2,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sigma-Tau Research and Development Curated by ChEMBL					Assay Description Inhibition of human HDAC6 by fluroimetry				Bioorg Med Chem Lett 19: 2840-3 (2009) Checked by Author Article DOI: 10.1016/j.bmcl.2009.03.101 BindingDB Entry DOI: 10.7270/Q2PN95PT
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361715 (CHEMBL1941064) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc(Br)o1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C20H20BrN3O6/c1-4-22-20(28)17-16(23-19(27)14-5-6-15(21)29-14)18(30-24-17)11-7-10(9(2)3)12(25)8-13(11)26/h5-9,25-26H,4H2,1-3H3,(H,22,28)(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361710 (CHEMBL1941059) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)N1CCCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H30N4O5/c1-4-27-26(34)23-22(24(35-29-23)19-13-18(15(2)3)20(31)14-21(19)32)28-25(33)16-7-9-17(10-8-16)30-11-5-6-12-30/h7-10,13-15,31-32H,4-6,11-12H2,1-3H3,(H,27,34)(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC7				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50297445 (CHEMBL561483 | N-hydroxy-7,7-bis(7-methoxy-1H-indo...) Show SMILES COc1cccc2c(c[nH]c12)C(CCCCCC(=O)NO)c1c[nH]c2c(OC)cccc12 Show InChI InChI=1S/C25H29N3O4/c1-31-21-11-6-9-17-19(14-26-24(17)21)16(8-4-3-5-13-23(29)28-30)20-15-27-25-18(20)10-7-12-22(25)32-2/h6-7,9-12,14-16,26-27,30H,3-5,8,13H2,1-2H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Sigma-Tau Research and Development Curated by ChEMBL					Assay Description Inhibition of human HDAC3 by fluroimetry				Bioorg Med Chem Lett 19: 2840-3 (2009) Checked by Author Article DOI: 10.1016/j.bmcl.2009.03.101 BindingDB Entry DOI: 10.7270/Q2PN95PT
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC2				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361687 (CHEMBL1940930) Show SMILES CCNC(=O)c1noc(c1NC(=O)[C@@H]1CC[C@@H](CC1)OC)-c1cc(C(C)C)c(O)cc1O |r,wD:13.13,16.20,(4.96,-31.55,;3.42,-31.55,;2.65,-30.21,;1.11,-30.21,;.45,-28.82,;.24,-31.48,;.76,-32.93,;-.46,-33.87,;-1.73,-32.99,;-1.3,-31.52,;-2.23,-30.3,;-3.77,-30.27,;-4.57,-31.58,;-4.51,-28.92,;-6.06,-28.89,;-6.79,-27.53,;-5.99,-26.21,;-4.45,-26.26,;-3.72,-27.6,;-6.73,-24.86,;-5.92,-23.55,;-3.06,-33.76,;-4.4,-33,;-5.73,-33.77,;-7.06,-33,;-7.06,-31.46,;-8.39,-33.77,;-5.73,-35.32,;-7.06,-36.08,;-4.39,-36.09,;-3.06,-35.31,;-1.72,-36.08,)| Show InChI InChI=1S/C23H31N3O6/c1-5-24-23(30)20-19(25-22(29)13-6-8-14(31-4)9-7-13)21(32-26-20)16-10-15(12(2)3)17(27)11-18(16)28/h10-14,27-28H,5-9H2,1-4H3,(H,24,30)(H,25,29)/t13-,14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361711 (CHEMBL1941060) Show SMILES CCNC(=O)c1cc(on1)C(=O)Nc1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC Show InChI InChI=1S/C22H25N5O7/c1-5-23-20(30)13-8-16(33-26-13)21(31)25-17-18(22(32)24-6-2)27-34-19(17)12-7-11(10(3)4)14(28)9-15(12)29/h7-10,28-29H,5-6H2,1-4H3,(H,23,30)(H,24,32)(H,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361707 (CHEMBL1941056) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)N1CCN(C)CC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H33N5O5/c1-5-28-27(36)24-23(25(37-30-24)20-14-19(16(2)3)21(33)15-22(20)34)29-26(35)17-6-8-18(9-7-17)32-12-10-31(4)11-13-32/h6-9,14-16,33-34H,5,10-13H2,1-4H3,(H,28,36)(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361692 (CHEMBL1940940) Show SMILES CCNC(=O)c1noc(c1NC(=O)C1CCN(C)CC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H30N4O5/c1-5-23-22(30)19-18(24-21(29)13-6-8-26(4)9-7-13)20(31-25-19)15-10-14(12(2)3)16(27)11-17(15)28/h10-13,27-28H,5-9H2,1-4H3,(H,23,30)(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361703 (CHEMBL1941052) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc(OC)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H25N3O6/c1-5-24-23(30)20-19(25-22(29)13-6-8-14(31-4)9-7-13)21(32-26-20)16-10-15(12(2)3)17(27)11-18(16)28/h6-12,27-28H,5H2,1-4H3,(H,24,30)(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361717 (CHEMBL1941066) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1sc(nc1C)-c1ccncc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C25H25N5O5S/c1-5-27-23(33)20-19(21(35-30-20)16-10-15(12(2)3)17(31)11-18(16)32)29-24(34)22-13(4)28-25(36-22)14-6-8-26-9-7-14/h6-12,31-32H,5H2,1-4H3,(H,27,33)(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361689 (CHEMBL1940932) Show SMILES CCNC(=O)c1noc(c1NC(=O)[C@H]1CC[C@H](N)CC1)-c1cc(C(C)C)c(O)cc1O |r,wU:16.17,wD:13.13,(40.21,-31.37,;38.67,-31.36,;37.9,-30.02,;36.36,-30.02,;35.7,-28.63,;35.49,-31.29,;36.01,-32.74,;34.79,-33.68,;33.52,-32.8,;33.95,-31.33,;33.01,-30.11,;31.48,-30.08,;30.68,-31.4,;30.73,-28.73,;31.53,-27.42,;30.8,-26.07,;29.26,-26.03,;28.52,-24.67,;28.45,-27.34,;29.19,-28.7,;32.19,-33.58,;30.85,-32.81,;29.52,-33.58,;28.19,-32.81,;28.19,-31.27,;26.85,-33.59,;29.52,-35.13,;28.19,-35.9,;30.85,-35.9,;32.19,-35.13,;33.53,-35.9,)| Show InChI InChI=1S/C22H30N4O5/c1-4-24-22(30)19-18(25-21(29)12-5-7-13(23)8-6-12)20(31-26-19)15-9-14(11(2)3)16(27)10-17(15)28/h9-13,27-28H,4-8,23H2,1-3H3,(H,24,30)(H,25,29)/t12-,13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50007729 (CHEMBL3233488) Show SMILES CCNC(=O)c1noc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C19H23N3O5/c1-4-20-18(25)17-13-9-22(6-5-16(13)27-21-17)19(26)12-7-11(10(2)3)14(23)8-15(12)24/h7-8,10,23-24H,4-6,9H2,1-3H3,(H,20,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of GM-FTC from Hsp90-alpha (unknown origin) after 4 hrs by fluorescence polarization assay				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of human HDAC-6 using RHKK(Ac) as substrate				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361688 (CHEMBL1940931) Show SMILES CCNC(=O)c1noc(c1NC(=O)C1CCC(CC1)C(C)(C)C)-c1cc(C(C)C)c(O)cc1O |(22.08,-31.83,;20.54,-31.83,;19.77,-30.49,;18.23,-30.49,;17.57,-29.1,;17.36,-31.76,;17.88,-33.21,;16.66,-34.15,;15.39,-33.27,;15.82,-31.8,;14.88,-30.58,;13.35,-30.55,;12.55,-31.86,;12.6,-29.2,;13.4,-27.88,;12.67,-26.54,;11.13,-26.49,;10.32,-27.81,;11.06,-29.17,;10.39,-25.14,;11.2,-23.83,;8.85,-25.1,;9.61,-23.8,;14.06,-34.04,;12.72,-33.28,;11.39,-34.05,;10.06,-33.28,;10.06,-31.74,;8.72,-34.05,;11.39,-35.6,;10.06,-36.36,;12.72,-36.37,;14.06,-35.59,;15.4,-36.36,)| Show InChI InChI=1S/C26H37N3O5/c1-7-27-25(33)22-21(28-24(32)15-8-10-16(11-9-15)26(4,5)6)23(34-29-22)18-12-17(14(2)3)19(30)13-20(18)31/h12-16,30-31H,7-11H2,1-6H3,(H,27,33)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361709 (CHEMBL1941058) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)-n1cccc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H26N4O5/c1-4-27-26(34)23-22(24(35-29-23)19-13-18(15(2)3)20(31)14-21(19)32)28-25(33)16-7-9-17(10-8-16)30-11-5-6-12-30/h5-15,31-32H,4H2,1-3H3,(H,27,34)(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361708 (CHEMBL1941057) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)N1CCNCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H31N5O5/c1-4-28-26(35)23-22(24(36-30-23)19-13-18(15(2)3)20(32)14-21(19)33)29-25(34)16-5-7-17(8-6-16)31-11-9-27-10-12-31/h5-8,13-15,27,32-33H,4,9-12H2,1-3H3,(H,28,35)(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50007730 (CHEMBL3233755) Show SMILES CC(C)c1cc(C(=O)N2CCc3onc(C(=O)NCCCCCCC(=O)NO)c3C2)c(O)cc1O Show InChI InChI=1S/C24H32N4O7/c1-14(2)15-11-16(19(30)12-18(15)29)24(33)28-10-8-20-17(13-28)22(27-35-20)23(32)25-9-6-4-3-5-7-21(31)26-34/h11-12,14,29-30,34H,3-10,13H2,1-2H3,(H,25,32)(H,26,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of GM-FTC from Hsp90-alpha (unknown origin) after 4 hrs by fluorescence polarization assay				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361724 (CHEMBL1941073) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc2cc[nH]c2c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C24H24N4O5/c1-4-25-24(32)21-20(27-23(31)14-6-5-13-7-8-26-17(13)9-14)22(33-28-21)16-10-15(12(2)3)18(29)11-19(16)30/h5-12,26,29-30H,4H2,1-3H3,(H,25,32)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361705 (CHEMBL1941054) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)N(C)C)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C24H28N4O5/c1-6-25-24(32)21-20(26-23(31)14-7-9-15(10-8-14)28(4)5)22(33-27-21)17-11-16(13(2)3)18(29)12-19(17)30/h7-13,29-30H,6H2,1-5H3,(H,25,32)(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361704 (CHEMBL1941053) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc(OC)c(F)c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H24FN3O6/c1-5-25-23(31)20-19(26-22(30)12-6-7-18(32-4)15(24)8-12)21(33-27-20)14-9-13(11(2)3)16(28)10-17(14)29/h6-11,28-29H,5H2,1-4H3,(H,25,31)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361725 (CHEMBL1941074) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc2ccn(C)c2c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C25H26N4O5/c1-5-26-25(33)22-21(27-24(32)15-7-6-14-8-9-29(4)18(14)10-15)23(34-28-22)17-11-16(13(2)3)19(30)12-20(17)31/h6-13,30-31H,5H2,1-4H3,(H,26,33)(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50007731 (CHEMBL3233754) Show SMILES CC(C)c1cc(C(=O)N2CCc3onc(C(=O)NCCCl)c3C2)c(O)cc1O Show InChI InChI=1S/C19H22ClN3O5/c1-10(2)11-7-12(15(25)8-14(11)24)19(27)23-6-3-16-13(9-23)17(22-28-16)18(26)21-5-4-20/h7-8,10,24-25H,3-6,9H2,1-2H3,(H,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of GM-FTC from Hsp90-alpha (unknown origin) after 4 hrs by fluorescence polarization assay				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361720 (CHEMBL1941069) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1cccc2cccnc12)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C25H24N4O5/c1-4-26-25(33)22-21(28-24(32)15-9-5-7-14-8-6-10-27-20(14)15)23(34-29-22)17-11-16(13(2)3)18(30)12-19(17)31/h5-13,30-31H,4H2,1-3H3,(H,26,33)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair

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