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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin-1' and Ligand = 'BDBM50133515'   
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))
BDBM50133515
PNG
(CHEMBL117365 | N-Benzyl-2-(6-methyl-2-oxo-3-phenyl...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccccc1
Show InChI InChI=1S/C22H23N3O4S/c1-17-12-13-20(24-30(28,29)16-19-10-6-3-7-11-19)22(27)25(17)15-21(26)23-14-18-8-4-2-5-9-18/h2-13,24H,14-16H2,1H3,(H,23,26)
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MMDB

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Similars

Article
PubMed
4.66E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant evaluated against trypsin


Bioorg Med Chem Lett 13: 3477-82 (2003)


Article DOI: 10.1016/s0960-894x(03)00732-7
BindingDB Entry DOI: 10.7270/Q29P3119
More data for this
Ligand-Target Pair