BDBM50340951 (1R,2S)-1-((1R,4aS,8S,11aR)-1-acetoxy-8-hydroperoxy-7,11-dimethylene-1,4a,5,6,7,8,9,10,11,11a-decahydrocyclonona[c]pyran-4-yl)-4-methylpent-3-ene-1,2-diyl diacetate::CHEMBL1761955

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@H](-[#6]-[#6]-[#6]-2=[#6])-[#8]-[#8]

InChI Key: InChIKey=HVAHZTRJIMZNBH-GHBIRHKFSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50340951   

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))	BDBM50340951 ((1R,2S)-1-((1R,4aS,8S,11aR)-1-acetoxy-8-hydroperox...) Show 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@H](-[#6]-[#6]-[#6]-2=[#6])-[#8]-[#8] |r,t:14| Show InChI InChI=1S/C26H36O9/c1-14(2)12-23(32-17(5)27)25(33-18(6)28)21-13-31-26(34-19(7)29)24-16(4)9-11-22(35-30)15(3)8-10-20(21)24/h12-13,20,22-26,30H,3-4,8-11H2,1-2,5-7H3/t20-,22+,23+,24+,25-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.18E+4	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