BDBM50379832 CHEMBL2011698

SMILES: OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2cccc(Oc3ccccc3)c2)cc1

InChI Key: InChIKey=IYIDHSPENPHBBT-VDHJPFPMSA-N

Data: 4 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 4 hits for monomerid = 50379832   

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
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50379832 (CHEMBL2011698) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C31H21F3N2O4S/c32-31(33,34)23-13-15-24(16-14-23)35-30-36(19-20-9-11-22(12-10-20)29(38)39)28(37)27(41-30)18-21-5-4-8-26(17-21)40-25-6-2-1-3-7-25/h1-18H,19H2,(H,38,39)/b27-18-,35-30-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Competitive inhibition of GST-tagged human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...				Eur J Med Chem 50: 332-43 (2012) Article DOI: 10.1016/j.ejmech.2012.02.012 BindingDB Entry DOI: 10.7270/Q2DN461B
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50379832 (CHEMBL2011698) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C31H21F3N2O4S/c32-31(33,34)23-13-15-24(16-14-23)35-30-36(19-20-9-11-22(12-10-20)29(38)39)28(37)27(41-30)18-21-5-4-8-26(17-21)40-25-6-2-1-3-7-25/h1-18H,19H2,(H,38,39)/b27-18-,35-30-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant TCPTP using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot				Eur J Med Chem 50: 332-43 (2012) Article DOI: 10.1016/j.ejmech.2012.02.012 BindingDB Entry DOI: 10.7270/Q2DN461B
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50379832 (CHEMBL2011698) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C31H21F3N2O4S/c32-31(33,34)23-13-15-24(16-14-23)35-30-36(19-20-9-11-22(12-10-20)29(38)39)28(37)27(41-30)18-21-5-4-8-26(17-21)40-25-6-2-1-3-7-25/h1-18H,19H2,(H,38,39)/b27-18-,35-30-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Competitive inhibition of GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weav...				Eur J Med Chem 50: 332-43 (2012) Article DOI: 10.1016/j.ejmech.2012.02.012 BindingDB Entry DOI: 10.7270/Q2DN461B
					More data for this Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50379832 (CHEMBL2011698) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C31H21F3N2O4S/c32-31(33,34)23-13-15-24(16-14-23)35-30-36(19-20-9-11-22(12-10-20)29(38)39)28(37)27(41-30)18-21-5-4-8-26(17-21)40-25-6-2-1-3-7-25/h1-18H,19H2,(H,38,39)/b27-18-,35-30-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Competitive inhibition of GST-tagged human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...				Eur J Med Chem 50: 332-43 (2012) Article DOI: 10.1016/j.ejmech.2012.02.012 BindingDB Entry DOI: 10.7270/Q2DN461B
					More data for this Ligand-Target Pair