BDBM14266 4-bromo-3-(carboxymethoxy)-5-{4-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}thiophene-2-carboxylic acid::Monocyclic thiophene analog 35

SMILES: CC1(C)CC(CC(C)(C)C1)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br

InChI Key: InChIKey=CIJWJTCAZDLUFG-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 = 14266   

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))	BDBM14266 (4-bromo-3-(carboxymethoxy)-5-{4-[(3,3,5,5-tetramet...) Show SMILES CC1(C)CC(CC(C)(C)C1)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C23H28BrNO5S/c1-22(2)9-15(10-23(3,4)12-22)25-14-7-5-13(6-8-14)19-17(24)18(30-11-16(26)27)20(31-19)21(28)29/h5-8,15,25H,9-12H2,1-4H3,(H,26,27)(H,28,29)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	250	-9.00	n/a	n/a	n/a	n/a	n/a	n/a	25
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				3D Structure (docked)