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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Monomerid = 50142168   
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-1


(Homo sapiens (Human))
BDBM50142168
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-diethylami...)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C24H24Cl2N4O2/c1-3-30(4-2)15-16-5-7-17(8-6-16)23(31)28-21-11-9-18(25)13-20(21)24(32)29-22-12-10-19(26)14-27-22/h5-14H,3-4,15H2,1-2H3,(H,28,31)(H,27,29,32)
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MMDB

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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