BDBM50189652 CHEMBL212319::N-{(1S)-1-(1H-benzimidazol-2-yl)-2-[3-bromo-4-(1,1-dioxodo-3-oxoisothiazolidin-5-yl)phenyl]ethyl}benzenesulfonamide

SMILES: Brc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)[N-]S1(=O)=O

InChI Key: InChIKey=MIZHKGQYVXSKQB-HMTLIYDFSA-M

Data: 1 IC50

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 = 50189652   

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))	BDBM50189652 (CHEMBL212319 | N-{(1S)-1-(1H-benzimidazol-2-yl)-2-...) Show SMILES Brc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)[N-]S1(=O)=O Show InChI InChI=1S/C24H21BrN4O5S2/c25-18-12-15(10-11-17(18)22-14-23(30)29-36(22,33)34)13-21(24-26-19-8-4-5-9-20(19)27-24)28-35(31,32)16-6-2-1-3-7-16/h1-12,21-22,28H,13-14H2,(H2,26,27,29,30)/p-1/t21-,22?/m0/s1	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	340	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PTP1B by pNPP assay				J Med Chem 49: 3774-89 (2006) Article DOI: 10.1021/jm0600904 BindingDB Entry DOI: 10.7270/Q2JQ10M8
					More data for this Ligand-Target Pair