BDBM50391124 CHEMBL2087682

SMILES: CCOS(=O)(=O)\C=C\c1ccc(OCCCCNc2nc(c(C)s2)-c2ccccc2)c(OC)c1

InChI Key: InChIKey=DXTCXVIIONSDKN-SAPNQHFASA-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 = 50391124   

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))	BDBM50391124 (CHEMBL2087682) Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCCCCNc2nc(c(C)s2)-c2ccccc2)c(OC)c1 Show InChI InChI=1S/C25H30N2O5S2/c1-4-32-34(28,29)17-14-20-12-13-22(23(18-20)30-3)31-16-9-8-15-26-25-27-24(19(2)33-25)21-10-6-5-7-11-21/h5-7,10-14,17-18H,4,8-9,15-16H2,1-3H3,(H,26,27)/b17-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM50391124 (CHEMBL2087682) Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCCCCNc2nc(c(C)s2)-c2ccccc2)c(OC)c1 Show InChI InChI=1S/C25H30N2O5S2/c1-4-32-34(28,29)17-14-20-12-13-22(23(18-20)30-3)31-16-9-8-15-26-25-27-24(19(2)33-25)21-10-6-5-7-11-21/h5-7,10-14,17-18H,4,8-9,15-16H2,1-3H3,(H,26,27)/b17-14+	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	1.51E+4	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