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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 = 'BDBM50093145'   
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))
BDBM50093145
PNG
(CHEMBL408300 | [2-(4-Guanidino-benzylcarbamoyl)-et...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#8]-[#6]-c2ccc(-[#6]-[#8]-[#6](=O)-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-c3ccc(cc3)\[#7]=[#6](/[#7])-[#7])cc2)cc1
Show InChI InChI=1S/C32H40N10O6/c33-29(34)41-25-9-5-21(6-10-25)17-39-27(43)13-15-37-31(45)47-19-23-1-2-24(4-3-23)20-48-32(46)38-16-14-28(44)40-18-22-7-11-26(12-8-22)42-30(35)36/h1-12H,13-20H2,(H,37,45)(H,38,46)(H,39,43)(H,40,44)(H4,33,34,41)(H4,35,36,42)
PDB
MMDB

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PC cid
PC sid
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90n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory potency against tryptase


Bioorg Med Chem Lett 10: 2357-60 (2001)


BindingDB Entry DOI: 10.7270/Q2NP23NX
More data for this
Ligand-Target Pair