BDBM50127375 (E)-(R)-4-Hydroxy-2-methyl-hex-2-enedioic acid 6-{(1R,2S,3R,6S,7S,10R)-10-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-((S)-3-methyl-4-oxo-pentyl)-1,7-dioxa-spiro[5.5]undec-2-yl]-3,7-dihydroxy-1-isopropyl-2-methoxy-6-methyl-5-oxo-undecyl} ester::CHEMBL295239

SMILES: CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)\C=C(/C)C(O)=O)C(C)C

InChI Key: InChIKey=GWMVRWABGZUAHZ-YSOIJUGWSA-N

Data: 1 IC50

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 = 50127375   

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
Protein phosphatase 2A regulatory subunit B' (Homo sapiens (Human))	BDBM50127375 ((E)-(R)-4-Hydroxy-2-methyl-hex-2-enedioic acid 6-{...) Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)\C=C(/C)C(O)=O)C(C)C Show InChI InChI=1S/C40H68O12/c1-22(2)36(50-35(46)20-30(42)19-27(7)39(47)48)38(49-10)33(45)21-32(44)28(8)31(43)13-11-25(5)37-26(6)16-18-40(52-37)17-15-24(4)34(51-40)14-12-23(3)29(9)41/h19,22-26,28,30-31,33-34,36-38,42-43,45H,11-18,20-21H2,1-10H3,(H,47,48)/b27-19+/t23-,24+,25+,26-,28-,30-,31-,33+,34-,36+,37-,38-,40+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at Irvine Curated by ChEMBL					Assay Description Inhibition of protein phosphatase 2A (PP2A) was determined by standard phosphorylase a inhibition assay				Bioorg Med Chem Lett 13: 1597-600 (2003) BindingDB Entry DOI: 10.7270/Q2DB82CK
					More data for this Ligand-Target Pair