Found 8 hits for monomerid = 15361 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM15361
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)Show SMILES [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2 |r,w:22.22,20.20| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Vernalis (R&D) Ltd
| Assay Description The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90... |
J Med Chem 48: 4212-5 (2005)
Article DOI: 10.1021/jm050355z BindingDB Entry DOI: 10.7270/Q2WQ0216 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM15361
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)Show SMILES [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2 |r,w:22.22,20.20| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Vernalis (R&D) Ltd
| Assay Description The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90... |
Bioorg Med Chem Lett 15: 5187-91 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.092 BindingDB Entry DOI: 10.7270/Q2HH6H9Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM15361
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)Show SMILES [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2 |r,w:22.22,20.20| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Vernalis (R&D) Ltd
| Assay Description The HSP90 ATPase activity was determined by following the procedure of malachite green assay. The assay is based on quantitation of the green complex... |
Chem Biol 11: 775-85 (2004)
Article DOI: 10.1016/j.chembiol.2004.03.033 BindingDB Entry DOI: 10.7270/Q2RX99BC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ATP-citrate synthase
(Rattus norvegicus) | BDBM15361
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)Show SMILES [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2 |r,w:22.22,20.20| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description Competitive inhibition of rat liver ACLY using ATP as substrate by spectrophotometric analysis |
J Med Chem 54: 5615-38 (2011)
Article DOI: 10.1021/jm2005805 BindingDB Entry DOI: 10.7270/Q21N8261 |
More data for this Ligand-Target Pair | |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM15361
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)Show SMILES [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2 |r,w:22.22,20.20| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
| Assay Description Binding competition assay with a fluorescent probe. |
Chem Biol 13: 1203-15 (2006)
Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM15361
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)Show SMILES [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2 |r,w:22.22,20.20| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
| Assay Description Binding competition assay with a fluorescent probe. |
Chem Biol 13: 1203-15 (2006)
Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ATP-citrate synthase
(Rattus norvegicus) | BDBM15361
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)Show SMILES [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2 |r,w:22.22,20.20| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description Competitive inhibition of rat liver ACLY using citrate as substrate by spectrophotometric analysis |
J Med Chem 54: 5615-38 (2011)
Article DOI: 10.1021/jm2005805 BindingDB Entry DOI: 10.7270/Q21N8261 |
More data for this Ligand-Target Pair | |
ATP-dependent molecular chaperone HSP82
(Saccharomyces cerevisiae) | BDBM15361
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)Show SMILES [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2 |r,w:22.22,20.20| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
| Assay Description A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy... |
Chem Biol 13: 1203-15 (2006)
Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |