BDBM50394208 CHEMBL2159048

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2c(occ(-c3ccc(-[#8])cc3-[#8])c2=O)c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]

InChI Key: InChIKey=DPJZYONMQLGZJE-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50394208   

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))	BDBM50394208 (CHEMBL2159048) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2c(occ(-c3ccc(-[#8])cc3-[#8])c2=O)c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8] Show InChI InChI=1S/C25H26O5/c1-14(2)5-7-16-11-20-24(29)21(18-10-8-17(26)12-22(18)27)13-30-25(20)19(23(16)28)9-6-15(3)4/h5-6,8,10-13,26-28H,7,9H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins				Bioorg Med Chem 20: 6459-64 (2012) Article DOI: 10.1016/j.bmc.2012.08.024 BindingDB Entry DOI: 10.7270/Q29C6ZHS
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