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SMILES: NC(=N)NCCCCOC(=O)c1ccc(NC(N)=N)cc1

InChI Key: InChIKey=WJCTVLQRCJUVAP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50513217   
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
Serine protease 1/Trypsin-2/Trypsin-3


(Homo sapiens (Human))		BDBM50513217
PNG
(CHEMBL4439506)
Show SMILES NC(=N)NCCCCOC(=O)c1ccc(NC(N)=N)cc1
Show InChI InChI=1S/C13H20N6O2/c14-12(15)18-7-1-2-8-21-11(20)9-3-5-10(6-4-9)19-13(16)17/h3-6H,1-2,7-8H2,(H4,14,15,18)(H4,16,17,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.27E+3n/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...

Eur J Med Chem 176: 187-194 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.025
More data for this
Ligand-Target Pair