BDBM14236 5-(carboxymethoxy)-10-(cyclohexylamino)-3,7-dithiatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),4,9,11-pentaene-4-carboxylic acid::thienobenzothiophene 26

SMILES: OC(=O)COc1c(sc2c1sc1cc(NC3CCCCC3)ccc21)C(O)=O

InChI Key: InChIKey=RJMPCXXQQFWWPL-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 = 14236   

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))	BDBM14236 (5-(carboxymethoxy)-10-(cyclohexylamino)-3,7-dithia...) Show SMILES OC(=O)COc1c(sc2c1sc1cc(NC3CCCCC3)ccc21)C(O)=O Show InChI InChI=1S/C19H19NO5S2/c21-14(22)9-25-15-17-16(27-18(15)19(23)24)12-7-6-11(8-13(12)26-17)20-10-4-2-1-3-5-10/h6-8,10,20H,1-5,9H2,(H,21,22)(H,23,24)	PDB MMDB B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	740	-8.36	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 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K
					More data for this Ligand-Target Pair				3D Structure (docked)