Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50044185 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)) | BDBM50008263
(CHEMBL3234774)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCNCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C25H32N6O3/c1-4-27-25(34)23-24(18-7-5-17(6-8-18)15-30-11-9-26-10-12-30)31(29-28-23)20-13-19(16(2)3)21(32)14-22(20)33/h5-8,13-14,16,26,32-33H,4,9-12,15H2,1-3H3,(H,27,34) | 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 | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008258
(CHEMBL3234769)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C25H31N5O3/c1-4-26-25(33)23-24(18-9-7-17(8-10-18)15-29-11-5-6-12-29)30(28-27-23)20-13-19(16(2)3)21(31)14-22(20)32/h7-10,13-14,16,31-32H,4-6,11-12,15H2,1-3H3,(H,26,33) | 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 | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008253
(CHEMBL3234764)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C25H31N5O4/c1-4-26-25(33)23-24(18-7-5-17(6-8-18)15-29-9-11-34-12-10-29)30(28-27-23)20-13-19(16(2)3)21(31)14-22(20)32/h5-8,13-14,16,31-32H,4,9-12,15H2,1-3H3,(H,26,33) | 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 | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008262
(CHEMBL3234773)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN(CC)CCO)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C25H33N5O4/c1-5-26-25(34)23-24(18-9-7-17(8-10-18)15-29(6-2)11-12-31)30(28-27-23)20-13-19(16(3)4)21(32)14-22(20)33/h7-10,13-14,16,31-33H,5-6,11-12,15H2,1-4H3,(H,26,34) | 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 | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008264
(CHEMBL3234775)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H34N6O3/c1-5-27-26(35)24-25(19-8-6-18(7-9-19)16-31-12-10-30(4)11-13-31)32(29-28-24)21-14-20(17(2)3)22(33)15-23(21)34/h6-9,14-15,17,33-34H,5,10-13,16H2,1-4H3,(H,27,35) | 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 | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008265
(CHEMBL3234776)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCC(CC2)N(C)C)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C28H38N6O3/c1-6-29-28(37)26-27(34(31-30-26)23-15-22(18(2)3)24(35)16-25(23)36)20-9-7-19(8-10-20)17-33-13-11-21(12-14-33)32(4)5/h7-10,15-16,18,21,35-36H,6,11-14,17H2,1-5H3,(H,29,37) | 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 | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008268
(CHEMBL3234779)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CNCC2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C28H37N5O3/c1-4-30-28(36)26-27(33(32-31-26)23-14-22(18(2)3)24(34)15-25(23)35)21-12-10-20(11-13-21)17-29-16-19-8-6-5-7-9-19/h10-15,18-19,29,34-35H,4-9,16-17H2,1-3H3,(H,30,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008267
(CHEMBL3234778)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CNC2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H35N5O3/c1-4-28-27(35)25-26(19-12-10-18(11-13-19)16-29-20-8-6-5-7-9-20)32(31-30-25)22-14-21(17(2)3)23(33)15-24(22)34/h10-15,17,20,29,33-34H,4-9,16H2,1-3H3,(H,28,35) | 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 | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008260
(CHEMBL3234771)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCCCC2CCO)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C28H37N5O4/c1-4-29-28(37)26-27(33(31-30-26)23-15-22(18(2)3)24(35)16-25(23)36)20-10-8-19(9-11-20)17-32-13-6-5-7-21(32)12-14-34/h8-11,15-16,18,21,34-36H,4-7,12-14,17H2,1-3H3,(H,29,37) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008237
(CHEMBL3235110)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CNCCCN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C28H40N6O3/c1-6-30-28(37)26-27(34(32-31-26)23-16-22(19(4)5)24(35)17-25(23)36)21-12-10-20(11-13-21)18-29-14-9-15-33(7-2)8-3/h10-13,16-17,19,29,35-36H,6-9,14-15,18H2,1-5H3,(H,30,37) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50008222
(CHEMBL3235118)Show SMILES CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NCCCCCCC(=O)NO)c1-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C30H40N6O6/c1-20(2)23-17-24(26(38)18-25(23)37)36-29(22-10-8-21(9-11-22)19-35-13-15-42-16-14-35)28(32-34-36)30(40)31-12-6-4-3-5-7-27(39)33-41/h8-11,17-18,20,37-38,41H,3-7,12-16,19H2,1-2H3,(H,31,40)(H,33,39) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human HDAC-6 using RHKK(Ac) as substrate by fluorescence assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008266
(CHEMBL3234777)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CC[C@@H](C2)N(C)C)cc1)-c1cc(C(C)C)c(O)cc1O |r| Show InChI InChI=1S/C27H36N6O3/c1-6-28-27(36)25-26(33(30-29-25)22-13-21(17(2)3)23(34)14-24(22)35)19-9-7-18(8-10-19)15-32-12-11-20(16-32)31(4)5/h7-10,13-14,17,20,34-35H,6,11-12,15-16H2,1-5H3,(H,28,36)/t20-/m0/s1 | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008223
(CHEMBL3235108)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CNCCN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H36N6O4/c1-4-29-27(36)25-26(33(31-30-25)22-15-21(18(2)3)23(34)16-24(22)35)20-7-5-19(6-8-20)17-28-9-10-32-11-13-37-14-12-32/h5-8,15-16,18,28,34-35H,4,9-14,17H2,1-3H3,(H,29,36) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008236
(CHEMBL3235109)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CNCCN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H38N6O3/c1-6-29-27(36)25-26(20-11-9-19(10-12-20)17-28-13-14-32(7-2)8-3)33(31-30-25)22-15-21(18(4)5)23(34)16-24(22)35/h9-12,15-16,18,28,34-35H,6-8,13-14,17H2,1-5H3,(H,29,36) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008239
(CHEMBL3235112)Show SMILES CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NCCCl)c1-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C25H30ClN5O4/c1-16(2)19-13-20(22(33)14-21(19)32)31-24(23(28-29-31)25(34)27-8-7-26)18-5-3-17(4-6-18)15-30-9-11-35-12-10-30/h3-6,13-14,16,32-33H,7-12,15H2,1-2H3,(H,27,34) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008257
(CHEMBL3234768)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H33N5O3/c1-4-27-26(34)24-25(19-10-8-18(9-11-19)16-30-12-6-5-7-13-30)31(29-28-24)21-14-20(17(2)3)22(32)15-23(21)33/h8-11,14-15,17,32-33H,4-7,12-13,16H2,1-3H3,(H,27,34) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008256
(CHEMBL3234767)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCC[C@H](O)C2)cc1)-c1cc(C(C)C)c(O)cc1O |r| Show InChI InChI=1S/C26H33N5O4/c1-4-27-26(35)24-25(18-9-7-17(8-10-18)14-30-11-5-6-19(32)15-30)31(29-28-24)21-12-20(16(2)3)22(33)13-23(21)34/h7-10,12-13,16,19,32-34H,4-6,11,14-15H2,1-3H3,(H,27,35)/t19-/m0/s1 | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008259
(CHEMBL3234770)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(Cn2ccnc2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C24H26N6O3/c1-4-26-24(33)22-23(17-7-5-16(6-8-17)13-29-10-9-25-14-29)30(28-27-22)19-11-18(15(2)3)20(31)12-21(19)32/h5-12,14-15,31-32H,4,13H2,1-3H3,(H,26,33) | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008254
(CHEMBL3234765)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCCC(O)C2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H33N5O4/c1-4-27-26(35)24-25(18-9-7-17(8-10-18)14-30-11-5-6-19(32)15-30)31(29-28-24)21-12-20(16(2)3)22(33)13-23(21)34/h7-10,12-13,16,19,32-34H,4-6,11,14-15H2,1-3H3,(H,27,35) | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008261
(CHEMBL3234772)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C25H33N5O3/c1-6-26-25(33)23-24(18-11-9-17(10-12-18)15-29(7-2)8-3)30(28-27-23)20-13-19(16(4)5)21(31)14-22(20)32/h9-14,16,31-32H,6-8,15H2,1-5H3,(H,26,33) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008241
(CHEMBL3235114)Show SMILES CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NC2CCCC2)c1-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C28H35N5O4/c1-18(2)22-15-23(25(35)16-24(22)34)33-27(26(30-31-33)28(36)29-21-5-3-4-6-21)20-9-7-19(8-10-20)17-32-11-13-37-14-12-32/h7-10,15-16,18,21,34-35H,3-6,11-14,17H2,1-2H3,(H,29,36) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008250
(CHEMBL3234761)Show SMILES CC(C)c1cc(c(O)cc1O)-n1nncc1-c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C29H33N5O2/c1-21(2)25-16-26(29(36)17-28(25)35)34-27(18-30-31-34)24-10-8-23(9-11-24)20-33-14-12-32(13-15-33)19-22-6-4-3-5-7-22/h3-11,16-18,21,35-36H,12-15,19-20H2,1-2H3 | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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 Siena
Curated by ChEMBL
| Assay Description Inhibition of human HDAC-6 using RHKK(Ac) as substrate by fluorescence assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008255
(CHEMBL3234766)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCC[C@@H](O)C2)cc1)-c1cc(C(C)C)c(O)cc1O |r| Show InChI InChI=1S/C26H33N5O4/c1-4-27-26(35)24-25(18-9-7-17(8-10-18)14-30-11-5-6-19(32)15-30)31(29-28-24)21-12-20(16(2)3)22(33)13-23(21)34/h7-10,12-13,16,19,32-34H,4-6,11,14-15H2,1-3H3,(H,27,35)/t19-/m1/s1 | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008222
(CHEMBL3235118)Show SMILES CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NCCCCCCC(=O)NO)c1-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C30H40N6O6/c1-20(2)23-17-24(26(38)18-25(23)37)36-29(22-10-8-21(9-11-22)19-35-13-15-42-16-14-35)28(32-34-36)30(40)31-12-6-4-3-5-7-27(39)33-41/h8-11,17-18,20,37-38,41H,3-7,12-16,19H2,1-2H3,(H,31,40)(H,33,39) | 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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008238
(CHEMBL3235111)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CNC2CCN(C)CC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H36N6O3/c1-5-28-27(36)25-26(33(31-30-25)22-14-21(17(2)3)23(34)15-24(22)35)19-8-6-18(7-9-19)16-29-20-10-12-32(4)13-11-20/h6-9,14-15,17,20,29,34-35H,5,10-13,16H2,1-4H3,(H,28,36) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008240
(CHEMBL3235113)Show SMILES CCCCCCCNC(=O)c1nnn(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C30H41N5O4/c1-4-5-6-7-8-13-31-30(38)28-29(23-11-9-22(10-12-23)20-34-14-16-39-17-15-34)35(33-32-28)25-18-24(21(2)3)26(36)19-27(25)37/h9-12,18-19,21,36-37H,4-8,13-17,20H2,1-3H3,(H,31,38) | 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 Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008251
(CHEMBL3234762)Show SMILES CC(C)c1cc(c(O)cc1O)-n1nncc1-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C22H26N4O3/c1-15(2)18-11-19(22(28)12-21(18)27)26-20(13-23-24-26)17-5-3-16(4-6-17)14-25-7-9-29-10-8-25/h3-6,11-13,15,27-28H,7-10,14H2,1-2H3 | 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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008249
(CHEMBL3234760)Show SMILES CC(C)c1cc(c(O)cc1O)-n1nncc1-c1ccc(CN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C28H31N5O2/c1-20(2)24-16-25(28(35)17-27(24)34)33-26(18-29-30-33)22-10-8-21(9-11-22)19-31-12-14-32(15-13-31)23-6-4-3-5-7-23/h3-11,16-18,20,34-35H,12-15,19H2,1-2H3 | 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 | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008252
(CHEMBL3234763)Show SMILES CC(C)c1cc(c(O)cc1O)-n1nncc1-c1ccc(CN2CCCC(O)C2)cc1 Show InChI InChI=1S/C23H28N4O3/c1-15(2)19-10-20(23(30)11-22(19)29)27-21(12-24-25-27)17-7-5-16(6-8-17)13-26-9-3-4-18(28)14-26/h5-8,10-12,15,18,28-30H,3-4,9,13-14H2,1-2H3 | 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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM20926
(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008242
(CHEMBL3235115)Show SMILES CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NC2CCCCC2)c1-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C29H37N5O4/c1-19(2)23-16-24(26(36)17-25(23)35)34-28(27(31-32-34)29(37)30-22-6-4-3-5-7-22)21-10-8-20(9-11-21)18-33-12-14-38-15-13-33/h8-11,16-17,19,22,35-36H,3-7,12-15,18H2,1-2H3,(H,30,37) | 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 | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008244
(CHEMBL3235117)Show SMILES CC(C)[C@H](NC(=O)c1nnn(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(O)=O |r| Show InChI InChI=1S/C28H35N5O6/c1-16(2)20-13-21(23(35)14-22(20)34)33-26(25(30-31-33)27(36)29-24(17(3)4)28(37)38)19-7-5-18(6-8-19)15-32-9-11-39-12-10-32/h5-8,13-14,16-17,24,34-35H,9-12,15H2,1-4H3,(H,29,36)(H,37,38)/t24-/m0/s1 | 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 | 181 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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 MMDB PDB Article PubMed
| n/a | n/a | 243 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human HDAC-8 using RHKK(Ac) as substrate by fluorescence assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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 PDB Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human HDAC-1 using RHKK(Ac) as substrate by fluorescence assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008243
(CHEMBL3235116)Show SMILES CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)N2CCOCC2)c1-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C27H33N5O5/c1-18(2)21-15-22(24(34)16-23(21)33)32-26(25(28-29-32)27(35)31-9-13-37-14-10-31)20-5-3-19(4-6-20)17-30-7-11-36-12-8-30/h3-6,15-16,18,33-34H,7-14,17H2,1-2H3 | 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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008248
(CHEMBL3234759)Show SMILES CC(C)c1cc(c(O)cc1O)-n1cc(nn1)-c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C29H33N5O2/c1-21(2)25-16-27(29(36)17-28(25)35)34-20-26(30-31-34)24-10-8-23(9-11-24)19-33-14-12-32(13-15-33)18-22-6-4-3-5-7-22/h3-11,16-17,20-21,35-36H,12-15,18-19H2,1-2H3 | 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 | 295 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Histone deacetylase 9
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human HDAC-9 using RHKK(Ac) as substrate by fluorescence assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008247
(CHEMBL3234758)Show SMILES CC(C)c1cc(c(O)cc1O)-n1cc(nn1)-c1ccc(CN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C28H31N5O2/c1-20(2)24-16-26(28(35)17-27(24)34)33-19-25(29-30-33)22-10-8-21(9-11-22)18-31-12-14-32(15-13-31)23-6-4-3-5-7-23/h3-11,16-17,19-20,34-35H,12-15,18H2,1-2H3 | 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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Histone deacetylase 7
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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
| PDB Article PubMed
| n/a | n/a | 344 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human HDAC-7 using RHKK(Ac) as substrate by fluorescence assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human HDAC-3/NCOR2 using RHKK(Ac) as substrate by fluorescence assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Histone deacetylase 11
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 362 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human HDAC-11 using RHKK(Ac) as substrate by fluorescence assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 378 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human HDAC-5 using RHKK(Ac) as substrate by fluorescence assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 456 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human HDAC-10 using RHKK(Ac) as substrate by fluorescence assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 493 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human HDAC-4 using RHKK(Ac) as substrate by fluorescence assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50008222
(CHEMBL3235118)Show SMILES CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NCCCCCCC(=O)NO)c1-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C30H40N6O6/c1-20(2)23-17-24(26(38)18-25(23)37)36-29(22-10-8-21(9-11-22)19-35-13-15-42-16-14-35)28(32-34-36)30(40)31-12-6-4-3-5-7-27(39)33-41/h8-11,17-18,20,37-38,41H,3-7,12-16,19H2,1-2H3,(H,31,40)(H,33,39) | 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 | 717 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human HDAC-8 using RHKK(Ac) as substrate by fluorescence assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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 PDB Article PubMed
| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human HDAC-2 using RHKK(Ac) as substrate by fluorescence assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50008246
(CHEMBL3235119)Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(OC(C)=O)cc1OC(C)=O Show InChI InChI=1S/C29H35N5O6/c1-6-30-29(37)27-28(22-9-7-21(8-10-22)17-33-11-13-38-14-12-33)34(32-31-27)24-15-23(18(2)3)25(39-19(4)35)16-26(24)40-20(5)36/h7-10,15-16,18H,6,11-14,17H2,1-5H3,(H,30,37) | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Histone deacetylase 11
(Homo sapiens (Human)) | BDBM50008222
(CHEMBL3235118)Show SMILES CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NCCCCCCC(=O)NO)c1-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C30H40N6O6/c1-20(2)23-17-24(26(38)18-25(23)37)36-29(22-10-8-21(9-11-22)19-35-13-15-42-16-14-35)28(32-34-36)30(40)31-12-6-4-3-5-7-27(39)33-41/h8-11,17-18,20,37-38,41H,3-7,12-16,19H2,1-2H3,(H,31,40)(H,33,39) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human HDAC-11 using RHKK(Ac) as substrate by fluorescence assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM50008222
(CHEMBL3235118)Show SMILES CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NCCCCCCC(=O)NO)c1-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C30H40N6O6/c1-20(2)23-17-24(26(38)18-25(23)37)36-29(22-10-8-21(9-11-22)19-35-13-15-42-16-14-35)28(32-34-36)30(40)31-12-6-4-3-5-7-27(39)33-41/h8-11,17-18,20,37-38,41H,3-7,12-16,19H2,1-2H3,(H,31,40)(H,33,39) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Inhibition of human HDAC-5 using RHKK(Ac) as substrate by fluorescence assay |
J Med Chem 57: 2258-74 (2014)
Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR |
More data for this Ligand-Target Pair | |