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BDBM50355666 CHEMBL1910977

SMILES: NC(CF)=Nc1ccccc1

InChI Key: InChIKey=ZIGXSTQPULUMFD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50355666   
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
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM50355666
PNG
(CHEMBL1910977)
Show SMILES NC(CF)=Nc1ccccc1
Show InChI InChI=1S/C8H9FN2/c9-6-8(10)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of PAD4 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...


J Med Chem 54: 6919-35 (2011)


Article DOI: 10.1021/jm2008985
BindingDB Entry DOI: 10.7270/Q24F1R4M
More data for this
Ligand-Target Pair