Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform' and Ligand = 'BDBM50097633'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50097633 (CHEMBL2368224 | okadaic acid analogue) Show SMILES [H][C@@]1(CC[C@@]2(CC[C@@]3([H])O[C@]([H])(CO)C(=C)[C@@H](O)[C@]3([H])O2)O1)\C=C\[C@@H](C)[C@]1([H])CC(C)=C[C@@]2(O[C@]([H])(C[C@@](C)(O)C(O)=O)CC[C@H]2O)O1 |c:33| Show InChI InChI=1S/C31H46O11/c1-17-13-23(41-31(14-17)25(33)8-7-21(40-31)15-29(4,37)28(35)36)18(2)5-6-20-9-11-30(39-20)12-10-22-27(42-30)26(34)19(3)24(16-32)38-22/h5-6,14,18,20-27,32-34,37H,3,7-13,15-16H2,1-2,4H3,(H,35,36)/b6-5+/t18-,20+,21+,22-,23+,24-,25?,26-,27-,29-,30-,31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	304	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Protein phosphatase 2A (25 nM) isolated from bovine myocardial tissue				Bioorg Med Chem Lett 11: 647-9 (2001) BindingDB Entry DOI: 10.7270/Q2N29W62
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