BDBM14246 4-bromo-3-(carboxymethoxy)-5-(thiophen-3-yl)thiophene-2-carboxylic acid::Monocyclic thiophene analog 12

SMILES: OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccsc1

InChI Key: InChIKey=DBNXDVIOSZZYAC-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 = 14246   

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 (PTP1B) (Homo sapiens (Human))	BDBM14246 (4-bromo-3-(carboxymethoxy)-5-(thiophen-3-yl)thioph...) Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccsc1 Show InChI InChI=1S/C11H7BrO5S2/c12-7-8(17-3-6(13)14)10(11(15)16)19-9(7)5-1-2-18-4-5/h1-2,4H,3H2,(H,13,14)(H,15,16)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	-7.90	n/a	n/a	n/a	n/a	n/a	7.0	22
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem Lett 16: 4941-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.051 BindingDB Entry DOI: 10.7270/Q24J0CBD
					More data for this Ligand-Target Pair