Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 665.4 BDBM50054264

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

Found 2 hits 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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054264 (CHEMBL3319383 | US9522881, 11c-1 (L88M74)) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2ccc(cc2)-c2ccsc2)c1 Show InChI InChI=1S/C30H24IN3O5S/c1-34-24-15-25(35)23(30(38)39)14-22(24)28(31)29(34)18-3-2-4-21(13-18)33-27(37)10-9-26(36)32-20-7-5-17(6-8-20)19-11-12-40-16-19/h2-8,11-16,35H,9-10H2,1H3,(H,32,36)(H,33,37)(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 (Homo sapiens (Human))	BDBM50054264 (CHEMBL3319383 | US9522881, 11c-1 (L88M74)) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2ccc(cc2)-c2ccsc2)c1 Show InChI InChI=1S/C30H24IN3O5S/c1-34-24-15-25(35)23(30(38)39)14-22(24)28(31)29(34)18-3-2-4-21(13-18)33-27(37)10-9-26(36)32-20-7-5-17(6-8-20)19-11-12-40-16-19/h2-8,11-16,35H,9-10H2,1H3,(H,32,36)(H,33,37)(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	7.0	n/a
Indiana University Research and Technology Corporation US Patent					Assay Description The inhibition assays were performed at 25° C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M ad...				US Patent US9522881 (2016) BindingDB Entry DOI: 10.7270/Q2DN4402
					More data for this Ligand-Target Pair