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BDBM144279 US8969333, CI-amidine

InChI string: InChI=1/C14H19ClN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/s2

SMILES: NC(=O)[C@H](CCCNC(=N)CCl)NC(=O)c1ccccc1

InChI Key: InChIKey=BPWATVWOHQZVRP-LDGXTIHJNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 144279   
Target
(Institution)
LigandTarget
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
Peptidylarginine deiminase 4 (PAD4)


(Homo sapiens (Human))
BDBM144279
PNG
(US8969333, CI-amidine)
Show SMILES NC(=O)[C@H](CCCNC(=N)CCl)NC(=O)c1ccccc1
Show InChI InChI=1/C14H19ClN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/s2
KEGG

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PC sid
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Similars

AffyNet 
US Patent
n/an/a 1.25E+4n/an/an/an/an/an/a



The Penn State Research Foundation

US Patent


Assay Description
The inhibition efficacy of PAD4 inhibitors were determined by colorimetric measurement of citrulline generated by PAD4 catalyzed citrullination of BA...


US Patent US8969333 (2015)

More data for this
Ligand-Target Pair