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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 = 'BDBM50167518'   
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))
BDBM50167518
PNG
(CHEMBL189372 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES NCc1cccc(c1)C1CCN(CC1)C(=O)c1cn(-c2nccs2)c2ccccc12
Show InChI InChI=1S/C24H24N4OS/c25-15-17-4-3-5-19(14-17)18-8-11-27(12-9-18)23(29)21-16-28(24-26-10-13-30-24)22-7-2-1-6-20(21)22/h1-7,10,13-14,16,18H,8-9,11-12,15,25H2
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
373n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against tryptase


Bioorg Med Chem Lett 15: 2734-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.002
BindingDB Entry DOI: 10.7270/Q2V987K1
More data for this
Ligand-Target Pair