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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50387180'   
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
Serine protease 1


(Homo sapiens (Human))
BDBM50387180
PNG
(CHEMBL2047998)
Show SMILES CCOC(=O)Cn1c2ccc(O)cc2s\c1=N\C(N)=N
Show InChI InChI=1S/C12H14N4O3S/c1-2-19-10(18)6-16-8-4-3-7(17)5-9(8)20-12(16)15-11(13)14/h3-5,17H,2,6H2,1H3,(H3,13,14)/b15-12+
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.98E+5n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant trypsin 1 using tosyl-GPR-pNA substrate by spectrophotometry


Bioorg Med Chem Lett 22: 4839-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.046
BindingDB Entry DOI: 10.7270/Q2QV3NKC
More data for this
Ligand-Target Pair