Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 419.3 BDBM50469053

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 (Homo sapiens (Human))	BDBM50469053 (CHEMBL4292049) Show SMILES Clc1ccc(COc2cncc(c2)-c2ccc(CN3CCCC3)s2)c(Cl)c1 Show InChI InChI=1S/C21H20Cl2N2OS/c22-17-4-3-15(20(23)10-17)14-26-18-9-16(11-24-12-18)21-6-5-19(27-21)13-25-7-1-2-8-25/h3-6,9-12H,1-2,7-8,13-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of SHIP2 (unknown origin) assessed as decrease in PIP2 production using PtdIns(3,4,5)P3 as substrate preincubated for 20 mins followed by ...				Eur J Med Chem 157: 405-422 (2018) Article DOI: 10.1016/j.ejmech.2018.07.071 BindingDB Entry DOI: 10.7270/Q2SQ9330
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