BDBM50276279 CHEMBL511439::Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-13,19-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-aza-bicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-yl ester
SMILES: CO[C@H]1C[C@H](C)Cc2cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)ccc2O
InChI Key: InChIKey=FOTHSRVGKSQOSD-NPMNMWLJSA-N
Data: 1 Kd
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-alpha (Homo sapiens (Human)) | BDBM50276279 (CHEMBL511439 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a |
Kosan Biosciences Inc Curated by ChEMBL | Assay Description Binding affinity to human recombinant Hsp90alpha N-terminal domain by isothermal titration calorimetry | J Med Chem 52: 1518-21 (2009) Article DOI: 10.1021/jm900012a BindingDB Entry DOI: 10.7270/Q2QN67Q8 | |||||||||||
More data for this Ligand-Target Pair |