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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Monomerid = 13296   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trypsin


(Bos taurus (bovine))
BDBM13296
PNG
((1-Methyl-1H-imidazol-2-yl)benzene-4-sulfonic Acid...)
Show SMILES Cn1ccnc1-c1ccc(cc1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C22H24N6O3S/c1-27-12-10-25-21(27)16-5-7-18(8-6-16)32(30,31)26-19-9-11-28(22(19)29)14-15-3-2-4-17(13-15)20(23)24/h2-8,10,12-13,19,26H,9,11,14H2,1H3,(H3,23,24)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.90E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair