BDBM50336799 5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino)]tris[1,3-benzenesulfonate analogue::8,8'-(Carbonylbis(imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino))bisnaphthalene-1,3,5-trisulphonic acid::8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID::8,8'-[Carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonyl-imino]]bis-1,3,5-naphthalenetrisulfonic acid(suramin)::8-[(4-methyl-3-{[3-({[3-({2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)benzene]amido}benzene)amido]naphthalene-1,3,5-trisulfonic acid::CHEMBL265502::Germanin::Suramin hexasodium::US8835659, Suramin::Urea derivative::suramin

SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O

InChI Key InChIKey=FIAFUQMPZJWCLV-UHFFFAOYSA-N

Data  10 KI  37 IC50  14 EC50

PDB links: 14 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336799   

TargetDual specificity protein phosphatase 5 [180-384](Homo sapiens (Human))
Texas Wesleyan University

LigandPNGBDBM50336799(5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...)
Affinity DataKi:  25nM ΔG°:  -10.4kcal/mole IC50:  4.40E+4nMT: 2°CAssay Description:For the 96-well plate validation assay, sodium orthovanadate (Sigma Aldrich) was utilized as a positive control for inhibition [Swarup et al., Bioche...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed