BDBM50380756 CHEMBL2017855

SMILES: COc1ccc(cc1)C(Cc1ccc(cc1)-c1nc(cs1)C(O)=O)c1nc(no1)-c1cccc(F)c1

InChI Key: InChIKey=BQGLHEJGIKPTFZ-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50380756   

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))	BDBM50380756 (CHEMBL2017855) Show SMILES COc1ccc(cc1)C(Cc1ccc(cc1)-c1nc(cs1)C(O)=O)c1nc(no1)-c1cccc(F)c1 Show InChI InChI=1S/C27H20FN3O4S/c1-34-21-11-9-17(10-12-21)22(25-30-24(31-35-25)19-3-2-4-20(28)14-19)13-16-5-7-18(8-6-16)26-29-23(15-36-26)27(32)33/h2-12,14-15,22H,13H2,1H3,(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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