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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM14338'   
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
Trypsin


(Bos taurus (bovine))
BDBM14338
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-4-nit...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cc(cc(-c2ccccc2)c1[O-])[N+]([O-])=O
Show InChI InChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
1.30n/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 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair