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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 = 'BDBM50411012'   
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))
BDBM50411012
PNG
(CHEMBL535385)
Show SMILES NCCCC[C@H](NC(=O)N1CCCC1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1 |r|
Show InChI InChI=1S/C28H33Cl2N5O4/c29-22-11-8-20(17-23(22)30)12-16-38-21-9-6-19(7-10-21)18-25-33-27(34-39-25)26(36)24(5-1-2-13-31)32-28(37)35-14-3-4-15-35/h6-11,17,24H,1-5,12-16,18,31H2,(H,32,37)/t24-/m0/s1
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MMDB

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Similars

Article
PubMed
32n/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