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BDBM50513212 CHEMBL4467388

SMILES: NC(=N)Nc1ccc(cc1)C(=O)Nc1cccc(NC(N)=N)c1

InChI Key: InChIKey=QRWXKXGXIQEGQB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50513212   
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))
BDBM50513212
PNG
(CHEMBL4467388)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Nc1cccc(NC(N)=N)c1
Show InChI InChI=1S/C15H17N7O/c16-14(17)21-10-6-4-9(5-7-10)13(23)20-11-2-1-3-12(8-11)22-15(18)19/h1-8H,(H,20,23)(H4,16,17,21)(H4,18,19,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.39E+4n/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