BDBM50391094 CHEMBL2087672

SMILES: CCCCOS(=O)(=O)\C=C\c1ccc(OCc2ccccc2)cc1OCCc1nc(oc1C)-c1ccccc1

InChI Key: InChIKey=SROHNOCERBHNFW-DYTRJAOYSA-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 = 50391094   

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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50391094 (CHEMBL2087672) Show SMILES CCCCOS(=O)(=O)\C=C\c1ccc(OCc2ccccc2)cc1OCCc1nc(oc1C)-c1ccccc1 Show InChI InChI=1S/C31H33NO6S/c1-3-4-19-37-39(33,34)21-18-26-15-16-28(36-23-25-11-7-5-8-12-25)22-30(26)35-20-17-29-24(2)38-31(32-29)27-13-9-6-10-14-27/h5-16,18,21-22H,3-4,17,19-20,23H2,1-2H3/b21-18+	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	>1.00E+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 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
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50391094 (CHEMBL2087672) Show SMILES CCCCOS(=O)(=O)\C=C\c1ccc(OCc2ccccc2)cc1OCCc1nc(oc1C)-c1ccccc1 Show InChI InChI=1S/C31H33NO6S/c1-3-4-19-37-39(33,34)21-18-26-15-16-28(36-23-25-11-7-5-8-12-25)22-30(26)35-20-17-29-24(2)38-31(32-29)27-13-9-6-10-14-27/h5-16,18,21-22H,3-4,17,19-20,23H2,1-2H3/b21-18+	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