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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50122184'   
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


(Homo sapiens (Human))
BDBM50122184
PNG
(CHEMBL296041 | N-(3-Chloro-benzyl)-2-(6-methyl-2-o...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClN3O4S/c1-16-10-11-20(25-31(29,30)15-17-6-3-2-4-7-17)22(28)26(16)14-21(27)24-13-18-8-5-9-19(23)12-18/h2-12,25H,13-15H2,1H3,(H,24,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of trypsin in human plasma


Bioorg Med Chem Lett 13: 161-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00946-0
BindingDB Entry DOI: 10.7270/Q2348JQ0
More data for this
Ligand-Target Pair