BDBM50340950 (1R,2S)-1-((1R,4aS,9R,11aR)-1-acetoxy-9-hydroxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl)-4-methylpent-3-ene-1,2-diyl diacetate::CHEMBL1761954
SMILES: [#6]\[#6](-[#6])=[#6]\[#6@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#8]-[#6](-[#6])=O)-[#6]-1=[#6]-[#8]-[#6@H](-[#8]-[#6](-[#6])=O)-[#6@@H]-2-[#6@@H]-1-[#6]-[#6]\[#6](-[#6])=[#6]/[#6@H](-[#8])-[#6]-[#6]-2=[#6]
InChI Key: InChIKey=BVHUFJCFOXAURN-AJLDZXTQSA-N
Data: 1 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
endothelial PAS domain-containing protein 1 (Homo sapiens (Human)) | BDBM50340950 ((1R,2S)-1-((1R,4aS,9R,11aR)-1-acetoxy-9-hydroxy-7-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a |
NCI-Frederick Curated by ChEMBL | Assay Description Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay | Bioorg Med Chem Lett 21: 2113-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.127 BindingDB Entry DOI: 10.7270/Q27D2VFV | |||||||||||
More data for this Ligand-Target Pair |