BindingDB PrimarySearch

BDBM50166435 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE::5-(4-Methoxy-biphenyl-3-yl)-1,1-dioxo-1lambda*6*-[1,2,5]thiadiazolidin-3-one::5-(4-Methoxy[1,1'-biphenyl]-3-yl)-1,2,5-thiadiazolidin-3-one 1,1-Dioxide (2a)::CHEMBL193233

SMILES: COc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccccc1

InChI Key: InChIKey=IGXKSKWHHHYBFM-UHFFFAOYSA-N

Data: 1 KI 4 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50166435
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Protein tyrosine phosphatase 1B (PTP1B) (Homo sapiens (Human))	BDBM50166435 (5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-...) Show SMILES COc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccccc1 Show InChI	PDB GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.40E+3	n/a	4.80E+3	n/a	n/a	n/a	n/a	7.0	n/a
University of Missouri					Assay Description Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...				Biochemistry 56: 2051-2060 (2017) Article DOI: 10.1021/acs.biochem.7b00151 BindingDB Entry DOI: 10.7270/Q2HX1BJ8
University of Missouri					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50166435 (5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-...) Show SMILES COc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PTP1B				J Med Chem 53: 2333-44 (2010) Article DOI: 10.1021/jm901090b BindingDB Entry DOI: 10.7270/Q28P60MB
Incyte Corporation Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50166435 (5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-...) Show SMILES COc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck-Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem 19: 2145-55 (2011) Article DOI: 10.1016/j.bmc.2011.02.047 BindingDB Entry DOI: 10.7270/Q2BR8SHK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50166435 (5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-...) Show SMILES COc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibitory concentration against Protein tyrosine phosphatase 1B				Bioorg Med Chem Lett 15: 2503-7 (2005) Article DOI: 10.1016/j.bmcl.2005.03.068 BindingDB Entry DOI: 10.7270/Q2QR4WPZ
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)