BDBM50054265 CHEMBL3319384::US9522881, 11c-2 (L88M49)

SMILES: Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1

InChI Key: InChIKey=AGSICTIJMBRYGB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50054265   

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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50054265 (CHEMBL3319384 | US9522881, 11c-2 (L88M49)) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 Show InChI InChI=1S/C32H26IN3O6/c1-36-26-18-27(37)25(32(40)41)17-24(26)30(33)31(36)19-6-5-7-21(16-19)35-29(39)15-14-28(38)34-20-10-12-23(13-11-20)42-22-8-3-2-4-9-22/h2-13,16-18,37H,14-15H2,1H3,(H,34,38)(H,35,39)(H,40,41)	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	3.60E+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))	BDBM50054265 (CHEMBL3319384 | US9522881, 11c-2 (L88M49)) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 Show InChI InChI=1S/C32H26IN3O6/c1-36-26-18-27(37)25(32(40)41)17-24(26)30(33)31(36)19-6-5-7-21(16-19)35-29(39)15-14-28(38)34-20-10-12-23(13-11-20)42-22-8-3-2-4-9-22/h2-13,16-18,37H,14-15H2,1H3,(H,34,38)(H,35,39)(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.60E+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