Found 12 hits of Enzyme Inhibition Constant Data 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)) | BDBM15359
((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1 | 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 | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of FITC-labeled geldanamycin from human recombinant HSP90alpha after 24 hrs by fluorescence diplacement assay |
Bioorg Med Chem 19: 6055-68 (2011)
Article DOI: 10.1016/j.bmc.2011.08.048
BindingDB Entry DOI: 10.7270/Q2J38SZQ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM15359
((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1 | PDB
MMDB
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 | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Binding affinity to HSP90 |
Bioorg Med Chem 19: 6055-68 (2011)
Article DOI: 10.1016/j.bmc.2011.08.048
BindingDB Entry DOI: 10.7270/Q2J38SZQ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50353952
(CHEMBL1831185)Show SMILES CCc1cc([C@@H]2CC(=O)N2c2ccc3OCCOc3c2)c(O)cc1O |r| Show InChI InChI=1S/C19H19NO5/c1-2-11-7-13(16(22)10-15(11)21)14-9-19(23)20(14)12-3-4-17-18(8-12)25-6-5-24-17/h3-4,7-8,10,14,21-22H,2,5-6,9H2,1H3/t14-/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 | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of FITC-labeled geldanamycin from human recombinant HSP90alpha after 24 hrs by fluorescence diplacement assay |
Bioorg Med Chem 19: 6055-68 (2011)
Article DOI: 10.1016/j.bmc.2011.08.048
BindingDB Entry DOI: 10.7270/Q2J38SZQ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50353953
(CHEMBL1831186)Show InChI InChI=1S/C17H17NO4/c1-2-11-7-12(15(20)9-14(11)19)10-18-13-3-4-16-17(8-13)22-6-5-21-16/h3-4,7-10,19-20H,2,5-6H2,1H3/b18-10+ | 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 | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of FITC-labeled geldanamycin from human recombinant HSP90alpha after 24 hrs by fluorescence diplacement assay |
Bioorg Med Chem 19: 6055-68 (2011)
Article DOI: 10.1016/j.bmc.2011.08.048
BindingDB Entry DOI: 10.7270/Q2J38SZQ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50353954
(CHEMBL1828656)Show InChI InChI=1S/C16H15NO4/c1-2-10-5-11(14(19)7-13(10)18)8-17-12-3-4-15-16(6-12)21-9-20-15/h3-8,18-19H,2,9H2,1H3/b17-8+ | 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 | 2.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of FITC-labeled geldanamycin from human recombinant HSP90alpha after 24 hrs by fluorescence diplacement assay |
Bioorg Med Chem 19: 6055-68 (2011)
Article DOI: 10.1016/j.bmc.2011.08.048
BindingDB Entry DOI: 10.7270/Q2J38SZQ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50353956
(CHEMBL1831189)Show SMILES Oc1ccc([C@@H]2CC(=O)N2c2ccc3OCCOc3c2)c(O)c1 |r| Show InChI InChI=1S/C17H15NO5/c19-11-2-3-12(14(20)8-11)13-9-17(21)18(13)10-1-4-15-16(7-10)23-6-5-22-15/h1-4,7-8,13,19-20H,5-6,9H2/t13-/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 | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of FITC-labeled geldanamycin from human recombinant HSP90alpha after 24 hrs by fluorescence diplacement assay |
Bioorg Med Chem 19: 6055-68 (2011)
Article DOI: 10.1016/j.bmc.2011.08.048
BindingDB Entry DOI: 10.7270/Q2J38SZQ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50353959
(CHEMBL1831192)Show SMILES CCc1cc([C@@H]2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)c(O)cc1O |r| Show InChI InChI=1S/C20H23NO6/c1-5-11-6-13(16(23)10-15(11)22)14-9-19(24)21(14)12-7-17(25-2)20(27-4)18(8-12)26-3/h6-8,10,14,22-23H,5,9H2,1-4H3/t14-/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 | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of FITC-labeled geldanamycin from human recombinant HSP90alpha after 24 hrs by fluorescence diplacement assay |
Bioorg Med Chem 19: 6055-68 (2011)
Article DOI: 10.1016/j.bmc.2011.08.048
BindingDB Entry DOI: 10.7270/Q2J38SZQ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50353957
(CHEMBL1831190)Show SMILES CCc1cc([C@@H]2CC(=O)N2c2ccc(OC)cc2)c(O)cc1O |r| Show InChI InChI=1S/C18H19NO4/c1-3-11-8-14(17(21)10-16(11)20)15-9-18(22)19(15)12-4-6-13(23-2)7-5-12/h4-8,10,15,20-21H,3,9H2,1-2H3/t15-/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 | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of FITC-labeled geldanamycin from human recombinant HSP90alpha after 24 hrs by fluorescence diplacement assay |
Bioorg Med Chem 19: 6055-68 (2011)
Article DOI: 10.1016/j.bmc.2011.08.048
BindingDB Entry DOI: 10.7270/Q2J38SZQ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50353955
(CHEMBL1831188)Show SMILES COc1ccc([C@@H]2CC(=O)N2c2ccc3OCCOc3c2)c(OC)c1 |r| Show InChI InChI=1S/C19H19NO5/c1-22-13-4-5-14(17(10-13)23-2)15-11-19(21)20(15)12-3-6-16-18(9-12)25-8-7-24-16/h3-6,9-10,15H,7-8,11H2,1-2H3/t15-/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 | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of FITC-labeled geldanamycin from human recombinant HSP90alpha after 24 hrs by fluorescence diplacement assay |
Bioorg Med Chem 19: 6055-68 (2011)
Article DOI: 10.1016/j.bmc.2011.08.048
BindingDB Entry DOI: 10.7270/Q2J38SZQ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50353961
(CHEMBL1831187)Show SMILES COc1ccc(OC)c(c1)[C@@H]1CC(=O)N1c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C19H19NO5/c1-22-13-4-6-16(23-2)14(10-13)15-11-19(21)20(15)12-3-5-17-18(9-12)25-8-7-24-17/h3-6,9-10,15H,7-8,11H2,1-2H3/t15-/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 | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of FITC-labeled geldanamycin from human recombinant HSP90alpha after 24 hrs by fluorescence diplacement assay |
Bioorg Med Chem 19: 6055-68 (2011)
Article DOI: 10.1016/j.bmc.2011.08.048
BindingDB Entry DOI: 10.7270/Q2J38SZQ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50353960
(CHEMBL1831193)Show SMILES CCc1cc([C@@H]2[C@H](C(=O)N2c2ccc3OCCOc3c2)c2ccccc2)c(O)cc1O |r| Show InChI InChI=1S/C25H23NO5/c1-2-15-12-18(20(28)14-19(15)27)24-23(16-6-4-3-5-7-16)25(29)26(24)17-8-9-21-22(13-17)31-11-10-30-21/h3-9,12-14,23-24,27-28H,2,10-11H2,1H3/t23-,24-/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 | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of FITC-labeled geldanamycin from human recombinant HSP90alpha after 24 hrs by fluorescence diplacement assay |
Bioorg Med Chem 19: 6055-68 (2011)
Article DOI: 10.1016/j.bmc.2011.08.048
BindingDB Entry DOI: 10.7270/Q2J38SZQ |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50353958
(CHEMBL1831191)Show SMILES CCc1cc([C@@H]2CC(=O)N2c2ccc3OCOc3c2)c(O)cc1O |r| Show InChI InChI=1S/C18H17NO5/c1-2-10-5-12(15(21)8-14(10)20)13-7-18(22)19(13)11-3-4-16-17(6-11)24-9-23-16/h3-6,8,13,20-21H,2,7,9H2,1H3/t13-/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 | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of FITC-labeled geldanamycin from human recombinant HSP90alpha after 24 hrs by fluorescence diplacement assay |
Bioorg Med Chem 19: 6055-68 (2011)
Article DOI: 10.1016/j.bmc.2011.08.048
BindingDB Entry DOI: 10.7270/Q2J38SZQ |
More data for this
Ligand-Target Pair | |
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