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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Monomerid = 50142140   
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))
BDBM50142140
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(4-hydroxy...)
Show SMILES OC1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
Show InChI InChI=1S/C25H24Cl2N4O3/c26-18-5-7-22(21(13-18)25(34)30-23-8-6-19(27)14-28-23)29-24(33)17-3-1-16(2-4-17)15-31-11-9-20(32)10-12-31/h1-8,13-14,20,32H,9-12,15H2,(H,29,33)(H,28,30,34)
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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