Found 15 hits for monomerid = 50087812 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 90 beta
(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) |
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 UniProtKB/TrEMBL
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
(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
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sloan-Kettering
Curated by ChEMBL
| Assay Description Displacement of FITC-GM from recombinant Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay |
J Med Chem 58: 3922-43 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00197 BindingDB Entry DOI: 10.7270/Q2CC12DD |
More data for this Ligand-Target Pair | |
Endoplasmin
(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
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description Inhibition of GRP94 (unknown origin) expressed in HEK293 cells assessed as reduction of Toll-like receptor trafficking to cell membrane treated for 2... |
J Med Chem 58: 7611-33 (2015)
BindingDB Entry DOI: 10.7270/Q2QZ2CSD |
More data for this Ligand-Target Pair | |
Endoplasmin
(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
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer |
J Med Chem 59: 3471-88 (2016)
BindingDB Entry DOI: 10.7270/Q2H133X3 |
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 UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| n/a | n/a | n/a | 1.31E+4 | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer |
J Med Chem 59: 3471-88 (2016)
BindingDB Entry DOI: 10.7270/Q2H133X3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 UniProtKB/TrEMBL
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) |
Heat shock protein 90 beta
(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) |
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 UniProtKB/TrEMBL
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) |
Endoplasmin
(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
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Binding affinity to GRP94 N-domain (unknown origin) |
J Med Chem 61: 9513-9533 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00800 BindingDB Entry DOI: 10.7270/Q2BK1FZW |
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 UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HSP90alpha expressed in Escherichia coli by fluorescence polarization assay |
J Med Chem 61: 9513-9533 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00800 BindingDB Entry DOI: 10.7270/Q2BK1FZW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein 90 beta
(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 | n/a | 1.38E+3 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of FITC-geldanamycin binding to canine GRP94 incubated for 5 hrs by fluorescence polarization assay |
J Med Chem 61: 9513-9533 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00800 BindingDB Entry DOI: 10.7270/Q2BK1FZW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 UniProtKB/TrEMBL
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 |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) incubated for 5 hrs by fluorescence polarization assay |
J Med Chem 61: 9513-9533 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00800 BindingDB Entry DOI: 10.7270/Q2BK1FZW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Endoplasmin
(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
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sloan-Kettering
Curated by ChEMBL
| Assay Description Displacement of Cy3B-GM from recombinant Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay |
J Med Chem 58: 3922-43 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00197 BindingDB Entry DOI: 10.7270/Q2CC12DD |
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 UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sloan-Kettering
Curated by ChEMBL
| Assay Description Displacement of Cy3B-GM from recombinant Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay |
J Med Chem 58: 3922-43 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00197 BindingDB Entry DOI: 10.7270/Q2CC12DD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |