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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Monomerid = 50142134   
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))
BDBM50142134
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(2-oxo-imi...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCNC3=O)cc2)nc1
Show InChI InChI=1S/C23H19Cl2N5O3/c24-16-5-7-19(18(11-16)22(32)29-20-8-6-17(25)12-27-20)28-21(31)15-3-1-14(2-4-15)13-30-10-9-26-23(30)33/h1-8,11-12H,9-10,13H2,(H,26,33)(H,28,31)(H,27,29,32)
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Similars

Article
PubMed
n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair