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SMILES: NC(=N)Nc1ccc(OC(=O)c2ccc(N)cc2)cc1

InChI Key: InChIKey=FXYCTDRIKLDZRI-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50513214   
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))
BDBM50513214
PNG
(CHEMBL4586045)
Show SMILES NC(=N)Nc1ccc(OC(=O)c2ccc(N)cc2)cc1
Show InChI InChI=1S/C14H14N4O2/c15-10-3-1-9(2-4-10)13(19)20-12-7-5-11(6-8-12)18-14(16)17/h1-8H,15H2,(H4,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/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
Prothrombin


(Homo sapiens (Human))
BDBM50513214
PNG
(CHEMBL4586045)
Show SMILES NC(=N)Nc1ccc(OC(=O)c2ccc(N)cc2)cc1
Show InChI InChI=1S/C14H14N4O2/c15-10-3-1-9(2-4-10)13(19)20-12-7-5-11(6-8-12)18-14(16)17/h1-8H,15H2,(H4,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.76E+4n/an/an/an/an/an/a



Heidelberg University

Curated by ChEMBL


Assay Description
Inhibition of thrombin (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