BDBM50219571 5-{3-[(1-benzenesulfonylpiperidin-4-ylmethyl)amino]phenyl}-4-bromo-3-carboxymethoxythiophene-2-carboxylic acid::CHEMBL429105

SMILES: OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NCC2CCN(CC2)S(=O)(=O)c2ccccc2)c1

InChI Key: InChIKey=ATSMPRZVNKAHLZ-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 = 50219571   

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 1 (Homo sapiens (Human))	BDBM50219571 (5-{3-[(1-benzenesulfonylpiperidin-4-ylmethyl)amino...) Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NCC2CCN(CC2)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C25H25BrN2O7S2/c26-21-22(35-15-20(29)30)24(25(31)32)36-23(21)17-5-4-6-18(13-17)27-14-16-9-11-28(12-10-16)37(33,34)19-7-2-1-3-8-19/h1-8,13,16,27H,9-12,14-15H2,(H,29,30)(H,31,32)	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	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
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