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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Monomerid = 50138657   
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))
BDBM50138657
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-e...)
Show SMILES CCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C20H19N3O/c1-2-13-3-9-18(10-4-13)23-20(24)17-8-6-14-11-16(19(21)22)7-5-15(14)12-17/h3-12H,2H2,1H3,(H3,21,22)(H,23,24)
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PC sid
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Patents


Similars

Article
PubMed
1.32E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against porcine trypsin was determined.


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair