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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Monomerid = 50102789   
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-1


(Homo sapiens (Human))
BDBM50102789
PNG
(2-(3-Bromo-2-hydroxy-5-methyl-phenyl)-1H-benzoimid...)
Show SMILES Cc1cc(Br)c(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=N
Show InChI InChI=1S/C15H13BrN4O/c1-7-4-9(13(21)10(16)5-7)15-19-11-3-2-8(14(17)18)6-12(11)20-15/h2-6,21H,1H3,(H3,17,18)(H,19,20)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Trypsin.


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair