BDBM50086952 2-[4'-(2-Benzyl-benzo[b]thiophen-3-yl)-3,5-dibromo-biphenyl-4-yloxy]-4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyric acid::CHEMBL25486

SMILES: OC(=O)C(CCN1C(=O)c2ccccc2C1=O)Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12

InChI Key: InChIKey=ATICEAYKVFZDBK-UHFFFAOYSA-N

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 = 50086952   

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))	BDBM50086952 (2-[4'-(2-Benzyl-benzo[b]thiophen-3-yl)-3,5-dibromo...) Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C39H27Br2NO5S/c40-30-21-26(22-31(41)36(30)47-32(39(45)46)18-19-42-37(43)27-10-4-5-11-28(27)38(42)44)24-14-16-25(17-15-24)35-29-12-6-7-13-33(29)48-34(35)20-23-8-2-1-3-9-23/h1-17,21-22,32H,18-20H2,(H,45,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)				J Med Chem 43: 1293-310 (2001) BindingDB Entry DOI: 10.7270/Q2W958FT
					More data for this Ligand-Target Pair