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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin-1' and Ligand = 'BDBM50079251'   
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))
BDBM50079251
PNG
(3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...)
Show SMILES CNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2(Cn3cnnn3)CC(=NO2)c2cccc(c2)C(N)=N)cc1 |c:28|
Show InChI InChI=1S/C26H25N9O4S/c1-29-40(37,38)23-8-3-2-7-21(23)17-9-11-20(12-10-17)31-25(36)26(15-35-16-30-33-34-35)14-22(32-39-26)18-5-4-6-19(13-18)24(27)28/h2-13,16,29H,14-15H2,1H3,(H3,27,28)(H,31,36)
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Article
PubMed
49n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity towards trypsin obtained from human purified enzymes


J Med Chem 42: 2760-73 (1999)


Article DOI: 10.1021/jm980406a
BindingDB Entry DOI: 10.7270/Q28W3CHG
More data for this
Ligand-Target Pair