BDBM50113301 4-(3-Benzyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzoic acid anion

SMILES: [O-]C(=O)c1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1

InChI Key: InChIKey=LAVHHMWKUVBWIF-XNTDXEJSSA-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 = 50113301   

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))	BDBM50113301 (4-(3-Benzyl-4-oxo-2-thioxo-thiazolidin-5-ylideneme...) Show SMILES [O-]C(=O)c1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 Show InChI InChI=1S/C18H13NO3S2/c20-16-15(10-12-6-8-14(9-7-12)17(21)22)24-18(23)19(16)11-13-4-2-1-3-5-13/h1-10H,11H2,(H,21,22)/p-1/b15-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) dephosphorylation of insulin receptor peptide				J Med Chem 45: 2213-21 (2002) BindingDB Entry DOI: 10.7270/Q2SB46F1
					More data for this Ligand-Target Pair