BDBM50045062 CHEMBL3309791

SMILES: COC(=O)c1c(O)cccc1OCCCNC(=O)c1cn(Cc2ccccc2)c2cc(F)ccc2c1=O

InChI Key: InChIKey=KNJKPHOCLYWQLM-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 = 50045062   

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))	BDBM50045062 (CHEMBL3309791) Show SMILES COC(=O)c1c(O)cccc1OCCCNC(=O)c1cn(Cc2ccccc2)c2cc(F)ccc2c1=O Show InChI InChI=1S/C28H25FN2O6/c1-36-28(35)25-23(32)9-5-10-24(25)37-14-6-13-30-27(34)21-17-31(16-18-7-3-2-4-8-18)22-15-19(29)11-12-20(22)26(21)33/h2-5,7-12,15,17,32H,6,13-14,16H2,1H3,(H,30,34)	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	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay				Bioorg Med Chem 22: 3670-83 (2014) Article DOI: 10.1016/j.bmc.2014.05.028 BindingDB Entry DOI: 10.7270/Q2G44RX2
					More data for this Ligand-Target Pair