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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tryptase' and Ligand = 'BDBM50167525'   
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


(Homo sapiens (Human))
BDBM50167525
PNG
(CHEMBL193514 | [4-(3-Aminomethyl-phenyl)-piperidin...)
Show SMILES COCCn1cc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c2ccccc12
Show InChI InChI=1S/C24H29N3O2/c1-29-14-13-27-17-22(21-7-2-3-8-23(21)27)24(28)26-11-9-19(10-12-26)20-6-4-5-18(15-20)16-25/h2-8,15,17,19H,9-14,16,25H2,1H3
PDB
MMDB

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Article
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57n/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