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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Monomerid = 50142175   
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))
BDBM50142175
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-{[(4,5-dih...)
Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1=NCCN1
Show InChI InChI=1S/C24H22Cl2N6O2/c1-32(24-27-10-11-28-24)14-15-2-4-16(5-3-15)22(33)30-20-8-6-17(25)12-19(20)23(34)31-21-9-7-18(26)13-29-21/h2-9,12-13H,10-11,14H2,1H3,(H,27,28)(H,30,33)(H,29,31,34)
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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