Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 631.4 BDBM50054403

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

Found 3 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
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 (Homo sapiens (Human))	BDBM50054403 (CHEMBL3319360 | US9522881, 11a-5 (L97M48) | US9844...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C30H22IN3O5/c1-34-24-16-25(35)23(30(38)39)15-22(24)26(31)27(34)19-10-6-12-21(14-19)33-29(37)28(36)32-20-11-5-9-18(13-20)17-7-3-2-4-8-17/h2-16,35H,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	770	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
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 (Homo sapiens (Human))	BDBM50054403 (CHEMBL3319360 | US9522881, 11a-5 (L97M48) | US9844...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C30H22IN3O5/c1-34-24-16-25(35)23(30(38)39)15-22(24)26(31)27(34)19-10-6-12-21(14-19)33-29(37)28(36)32-20-11-5-9-18(13-20)17-7-3-2-4-8-17/h2-16,35H,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	770	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Research and Technology Corporation US Patent					Assay Description PTP assays were conducted as previously described in Kontaridis et al., J Biol Chem. 2006; 281:6785-6792, using para-nitrophenyl phosphate (pNPP, obt...				US Patent US9844535 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89X1
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054403 (CHEMBL3319360 | US9522881, 11a-5 (L97M48) | US9844...) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C30H22IN3O5/c1-34-24-16-25(35)23(30(38)39)15-22(24)26(31)27(34)19-10-6-12-21(14-19)33-29(37)28(36)32-20-11-5-9-18(13-20)17-7-3-2-4-8-17/h2-16,35H,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	770	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