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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tryptase beta-2' and Ligand = 'BDBM50410997'   
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
Tryptase beta-2


(Homo sapiens (Human))
BDBM50410997
PNG
(CHEMBL557987)
Show SMILES COC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1 |r|
Show InChI InChI=1S/C25H28Cl2N4O5/c1-34-25(33)29-21(4-2-3-12-28)23(32)24-30-22(36-31-24)15-16-5-8-18(9-6-16)35-13-11-17-7-10-19(26)20(27)14-17/h5-10,14,21H,2-4,11-13,15,28H2,1H3,(H,29,33)/t21-/m0/s1
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Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of human B tryptase


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair