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BDBM50187172 (S)-benzyl 6-amino-1-oxo-1-(5-((4-(4-phenylbutyl)piperazin-1-yl)methyl)-1,2,4-oxadiazol-3-yl)hexan-2-ylcarbamate::CHEMBL378244

SMILES: NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(CCCCc3ccccc3)CC2)n1

InChI Key: InChIKey=NGEVXLYYUCTKSC-MHZLTWQESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50187172   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tryptase beta-1/beta-2


(Homo sapiens (Human))
BDBM50187172
PNG
((S)-benzyl 6-amino-1-oxo-1-(5-((4-(4-phenylbutyl)p...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(CCCCc3ccccc3)CC2)n1
Show InChI InChI=1S/C31H42N6O4/c32-17-9-7-16-27(33-31(39)40-24-26-14-5-2-6-15-26)29(38)30-34-28(41-35-30)23-37-21-19-36(20-22-37)18-10-8-13-25-11-3-1-4-12-25/h1-6,11-12,14-15,27H,7-10,13,16-24,32H2,(H,33,39)/t27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 4036-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.009
BindingDB Entry DOI: 10.7270/Q20864ZV
More data for this
Ligand-Target Pair