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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urokinase (uPA) Mutant (S190A)' and Ligand = 'BDBM14145'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Urokinase (uPA) Mutant (S190A)


(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
3.90E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 344: 527-47 (2004)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2V40SF3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)