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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 = 'BDBM50411003'   
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))
BDBM50411003
PNG
(CHEMBL536973)
Show SMILES NCCCC[C@H](NC(=O)C1CCOC1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1 |r|
Show InChI InChI=1S/C28H32Cl2N4O5/c29-22-9-6-19(15-23(22)30)10-14-38-21-7-4-18(5-8-21)16-25-33-27(34-39-25)26(35)24(3-1-2-12-31)32-28(36)20-11-13-37-17-20/h4-9,15,20,24H,1-3,10-14,16-17,31H2,(H,32,36)/t20?,24-/m0/s1
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Similars

Article
PubMed
22n/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