BDBM50391110 CHEMBL2087695

SMILES: CCOS(=O)(=O)\C=C\c1ccc(OCCCCNc2nc(cs2)-c2ccc(Br)cc2)cc1

InChI Key: InChIKey=ACDVMWKFMLMMTI-DTQAZKPQSA-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 = 50391110   

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 2 (Homo sapiens (Human))	BDBM50391110 (CHEMBL2087695) Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCCCCNc2nc(cs2)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C23H25BrN2O4S2/c1-2-30-32(27,28)16-13-18-5-11-21(12-6-18)29-15-4-3-14-25-23-26-22(17-31-23)19-7-9-20(24)10-8-19/h5-13,16-17H,2-4,14-15H2,1H3,(H,25,26)/b16-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of human recombinant TCPTP assessed as inhibition of hydrolysis of p-nitrophenol after 10 mins by spectrophotometry				Eur J Med Chem 57: 10-20 (2012) Article DOI: 10.1016/j.ejmech.2012.09.015 BindingDB Entry DOI: 10.7270/Q2HX1DRS
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50391110 (CHEMBL2087695) Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCCCCNc2nc(cs2)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C23H25BrN2O4S2/c1-2-30-32(27,28)16-13-18-5-11-21(12-6-18)29-15-4-3-14-25-23-26-22(17-31-23)19-7-9-20(24)10-8-19/h5-13,16-17H,2-4,14-15H2,1H3,(H,25,26)/b16-13+	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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B assessed as inhibition of hydrolysis of p-nitrophenol after 10 mins by spectrophotometry				Eur J Med Chem 57: 10-20 (2012) Article DOI: 10.1016/j.ejmech.2012.09.015 BindingDB Entry DOI: 10.7270/Q2HX1DRS
					More data for this Ligand-Target Pair