BDBM13441 Tetrahydroisoquinoline (TIQ) deriv. 8h::ammonium N-[(3S)-3-(methylcarbamoyl)-2-(2-phenoxyacetyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamate

SMILES: CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)COc1ccccc1

InChI Key: InChIKey=UNDRJKIVVRVHCU-KRWDZBQOSA-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 = 13441   

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))	BDBM13441 (Tetrahydroisoquinoline (TIQ) deriv. 8h | ammonium ...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)COc1ccccc1 |r| Show InChI InChI=1S/C19H21N3O6S/c1-20-19(24)17-10-13-7-8-15(21-29(25,26)27)9-14(13)11-22(17)18(23)12-28-16-5-3-2-4-6-16/h2-9,17,21H,10-12H2,1H3,(H,20,24)(H,25,26,27)/p-1/t17-/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.53E+4	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair