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BDBM50162764 CHEMBL359680::[1-((S)-4-{(S)-5-[4-((S)-(S)-2-Benzyloxycarbonylamino-5-guanidino-pentanoylamino)-butyl]-6-oxo-3-oxo-piperazin-2-yl}-butylcarbamoyl)-4-guanidino-butyl]-carbamic acid benzyl ester

SMILES: NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc2ccccc2)NC1=O

InChI Key: InChIKey=WFKVCUPQQPXOQC-YDPTYEFTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50162764   
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


(Homo sapiens (Human))
BDBM50162764
PNG
(CHEMBL359680 | [1-((S)-4-{(S)-5-[4-((S)-(S)-2-Benz...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc2ccccc2)NC1=O
Show InChI InChI=1S/C40H60N12O8/c41-37(42)47-23-11-19-29(51-39(57)59-25-27-13-3-1-4-14-27)33(53)45-21-9-7-17-31-35(55)50-32(36(56)49-31)18-8-10-22-46-34(54)30(20-12-24-48-38(43)44)52-40(58)60-26-28-15-5-2-6-16-28/h1-6,13-16,29-32H,7-12,17-26H2,(H,45,53)(H,46,54)(H,49,56)(H,50,55)(H,51,57)(H,52,58)(H4,41,42,47)(H4,43,44,48)/t29-,30-,31-,32-/m0/s1
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MMDB

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Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair