Found 14 hits with Last Name = 'que' and Initial = 'nls' 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 |
Endoplasmin
(Canis familiaris) | BDBM50087812
(CHEMBL3426787)Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1 Show InChI InChI=1S/C20H19ClN2O4/c1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13/h2-6,9-11,24-25H,7-8,12H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hauptman-Woodward Medical Research Institute
Curated by ChEMBL
| Assay Description Displacement of FITC-geldanamycin from full length dog GRP94 at 277 K after 5 hrs by fluorescence polarization assay |
J Med Chem 61: 2793-2805 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01608 BindingDB Entry DOI: 10.7270/Q2P84FCD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Endoplasmin
(Canis familiaris) | BDBM50270471
(CHEMBL4075556)Show InChI InChI=1S/C18H16Cl2N2O2/c19-17-13(18(20)15(24)10-14(17)23)6-7-16-21-8-9-22(16)11-12-4-2-1-3-5-12/h1-5,8-10,23-24H,6-7,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hauptman-Woodward Medical Research Institute
Curated by ChEMBL
| Assay Description Displacement of FITC-geldanamycin from full length dog GRP94 at 277 K after 5 hrs by fluorescence polarization assay |
J Med Chem 61: 2793-2805 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01608 BindingDB Entry DOI: 10.7270/Q2P84FCD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50270471
(CHEMBL4075556)Show InChI InChI=1S/C18H16Cl2N2O2/c19-17-13(18(20)15(24)10-14(17)23)6-7-16-21-8-9-22(16)11-12-4-2-1-3-5-12/h1-5,8-10,23-24H,6-7,11H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hauptman-Woodward Medical Research Institute
Curated by ChEMBL
| Assay Description Displacement of FITC-geldanamycin from human HSP90alpha at 277 K after 5 hrs by fluorescence polarization assay |
J Med Chem 61: 2793-2805 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01608 BindingDB Entry DOI: 10.7270/Q2P84FCD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50087812
(CHEMBL3426787)Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1 Show InChI InChI=1S/C20H19ClN2O4/c1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13/h2-6,9-11,24-25H,7-8,12H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hauptman-Woodward Medical Research Institute
Curated by ChEMBL
| Assay Description Displacement of FITC-geldanamycin from human HSP90alpha at 277 K after 5 hrs by fluorescence polarization assay |
J Med Chem 61: 2793-2805 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01608 BindingDB Entry DOI: 10.7270/Q2P84FCD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Endoplasmin
(Canis familiaris) | BDBM50270472
(CHEMBL4098757)Show SMILES COC(=O)c1c(O)cc(O)c(C(=O)OC)c1CCc1nccn1Cc1ccccc1 Show InChI InChI=1S/C22H22N2O6/c1-29-21(27)19-15(20(22(28)30-2)17(26)12-16(19)25)8-9-18-23-10-11-24(18)13-14-6-4-3-5-7-14/h3-7,10-12,25-26H,8-9,13H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hauptman-Woodward Medical Research Institute
Curated by ChEMBL
| Assay Description Displacement of FITC-geldanamycin from full length dog GRP94 at 277 K after 5 hrs by fluorescence polarization assay |
J Med Chem 61: 2793-2805 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01608 BindingDB Entry DOI: 10.7270/Q2P84FCD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50270472
(CHEMBL4098757)Show SMILES COC(=O)c1c(O)cc(O)c(C(=O)OC)c1CCc1nccn1Cc1ccccc1 Show InChI InChI=1S/C22H22N2O6/c1-29-21(27)19-15(20(22(28)30-2)17(26)12-16(19)25)8-9-18-23-10-11-24(18)13-14-6-4-3-5-7-14/h3-7,10-12,25-26H,8-9,13H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| >1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hauptman-Woodward Medical Research Institute
Curated by ChEMBL
| Assay Description Displacement of FITC-geldanamycin from human HSP90alpha at 277 K after 5 hrs by fluorescence polarization assay |
J Med Chem 61: 2793-2805 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01608 BindingDB Entry DOI: 10.7270/Q2P84FCD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Endoplasmin
(Canis familiaris) | BDBM50087812
(CHEMBL3426787)Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1 Show InChI InChI=1S/C20H19ClN2O4/c1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13/h2-6,9-11,24-25H,7-8,12H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hauptman-Woodward Medical Research Institute
Curated by ChEMBL
| Assay Description Displacement of FITC-geldanamycin from full length dog GRP94 at 277 K after 5 hrs by fluorescence polarization assay |
J Med Chem 61: 2793-2805 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01608 BindingDB Entry DOI: 10.7270/Q2P84FCD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Endoplasmin
(Canis familiaris) | BDBM50270471
(CHEMBL4075556)Show InChI InChI=1S/C18H16Cl2N2O2/c19-17-13(18(20)15(24)10-14(17)23)6-7-16-21-8-9-22(16)11-12-4-2-1-3-5-12/h1-5,8-10,23-24H,6-7,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hauptman-Woodward Medical Research Institute
Curated by ChEMBL
| Assay Description Displacement of FITC-geldanamycin from full length dog GRP94 at 277 K after 5 hrs by fluorescence polarization assay |
J Med Chem 61: 2793-2805 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01608 BindingDB Entry DOI: 10.7270/Q2P84FCD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50270471
(CHEMBL4075556)Show InChI InChI=1S/C18H16Cl2N2O2/c19-17-13(18(20)15(24)10-14(17)23)6-7-16-21-8-9-22(16)11-12-4-2-1-3-5-12/h1-5,8-10,23-24H,6-7,11H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hauptman-Woodward Medical Research Institute
Curated by ChEMBL
| Assay Description Displacement of FITC-geldanamycin from human HSP90alpha at 277 K after 5 hrs by fluorescence polarization assay |
J Med Chem 61: 2793-2805 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01608 BindingDB Entry DOI: 10.7270/Q2P84FCD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50087812
(CHEMBL3426787)Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1 Show InChI InChI=1S/C20H19ClN2O4/c1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13/h2-6,9-11,24-25H,7-8,12H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hauptman-Woodward Medical Research Institute
Curated by ChEMBL
| Assay Description Displacement of FITC-geldanamycin from human HSP90alpha at 277 K after 5 hrs by fluorescence polarization assay |
J Med Chem 61: 2793-2805 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01608 BindingDB Entry DOI: 10.7270/Q2P84FCD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Endoplasmin
(Canis familiaris) | BDBM50270472
(CHEMBL4098757)Show SMILES COC(=O)c1c(O)cc(O)c(C(=O)OC)c1CCc1nccn1Cc1ccccc1 Show InChI InChI=1S/C22H22N2O6/c1-29-21(27)19-15(20(22(28)30-2)17(26)12-16(19)25)8-9-18-23-10-11-24(18)13-14-6-4-3-5-7-14/h3-7,10-12,25-26H,8-9,13H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hauptman-Woodward Medical Research Institute
Curated by ChEMBL
| Assay Description Displacement of FITC-geldanamycin from full length dog GRP94 at 277 K after 5 hrs by fluorescence polarization assay |
J Med Chem 61: 2793-2805 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01608 BindingDB Entry DOI: 10.7270/Q2P84FCD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50270472
(CHEMBL4098757)Show SMILES COC(=O)c1c(O)cc(O)c(C(=O)OC)c1CCc1nccn1Cc1ccccc1 Show InChI InChI=1S/C22H22N2O6/c1-29-21(27)19-15(20(22(28)30-2)17(26)12-16(19)25)8-9-18-23-10-11-24(18)13-14-6-4-3-5-7-14/h3-7,10-12,25-26H,8-9,13H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hauptman-Woodward Medical Research Institute
Curated by ChEMBL
| Assay Description Displacement of FITC-geldanamycin from human HSP90alpha at 277 K after 5 hrs by fluorescence polarization assay |
J Med Chem 61: 2793-2805 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01608 BindingDB Entry DOI: 10.7270/Q2P84FCD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50270471
(CHEMBL4075556)Show InChI InChI=1S/C18H16Cl2N2O2/c19-17-13(18(20)15(24)10-14(17)23)6-7-16-21-8-9-22(16)11-12-4-2-1-3-5-12/h1-5,8-10,23-24H,6-7,11H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a |
Hauptman-Woodward Medical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to human N-terminal 6His-tagged HSP90alpha (1 to 236 residues) expressed in Escherichia coli BL21star/Rosetta2 (DE3) at 298 K by ITC... |
J Med Chem 61: 2793-2805 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01608 BindingDB Entry DOI: 10.7270/Q2P84FCD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50087812
(CHEMBL3426787)Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1 Show InChI InChI=1S/C20H19ClN2O4/c1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13/h2-6,9-11,24-25H,7-8,12H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a |
Hauptman-Woodward Medical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to human N-terminal 6His-tagged HSP90alpha (1 to 236 residues) expressed in Escherichia coli BL21star/Rosetta2 (DE3) at 298 K by ITC... |
J Med Chem 61: 2793-2805 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01608 BindingDB Entry DOI: 10.7270/Q2P84FCD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |