BDBM50380755 CHEMBL2017854

SMILES: OC(=O)c1csc(n1)-c1ccc(CC(c2nc(no2)-c2cccc(F)c2)c2ccc(F)cc2)cc1

InChI Key: InChIKey=JTAHWKOBPUKTHD-UHFFFAOYSA-N

Data: 1 KI

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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 = 50380755   

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))	BDBM50380755 (CHEMBL2017854) Show SMILES OC(=O)c1csc(n1)-c1ccc(CC(c2nc(no2)-c2cccc(F)c2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H17F2N3O3S/c27-19-10-8-16(9-11-19)21(24-30-23(31-34-24)18-2-1-3-20(28)13-18)12-15-4-6-17(7-5-15)25-29-22(14-35-25)26(32)33/h1-11,13-14,21H,12H2,(H,32,33)	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	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
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