BDBM50391114 CHEMBL2087693

SMILES: CCOS(=O)(=O)\C=C\c1ccc(OCCCCNc2nc(cs2)-c2cccc(OC)c2)cc1

InChI Key: InChIKey=UBDYUPGEFORZAS-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 = 50391114   

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))	BDBM50391114 (CHEMBL2087693) Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCCCCNc2nc(cs2)-c2cccc(OC)c2)cc1 Show InChI InChI=1S/C24H28N2O5S2/c1-3-31-33(27,28)16-13-19-9-11-21(12-10-19)30-15-5-4-14-25-24-26-23(18-32-24)20-7-6-8-22(17-20)29-2/h6-13,16-18H,3-5,14-15H2,1-2H3,(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	8.20E+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))	BDBM50391114 (CHEMBL2087693) Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCCCCNc2nc(cs2)-c2cccc(OC)c2)cc1 Show InChI InChI=1S/C24H28N2O5S2/c1-3-31-33(27,28)16-13-19-9-11-21(12-10-19)30-15-5-4-14-25-24-26-23(18-32-24)20-7-6-8-22(17-20)29-2/h6-13,16-18H,3-5,14-15H2,1-2H3,(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	2.00E+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