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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidylarginine deiminase 4 (PAD4)' and Ligand = 'BDBM144278'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peptidylarginine deiminase 4 (PAD4)


(Homo sapiens (Human))
BDBM144278
PNG
(US8969333, YW4-15)
Show SMILES CN(C)c1ccc2cc(ccc2c1)C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc1ccc(NC(=O)CCCNC(=O)CCCCC2SCC3NC(=O)NC23)cc1
Show InChI InChI=1/C41H54ClN9O5S/c1-51(2)31-18-15-27-21-29(14-13-28(27)22-31)39(54)48-32(7-5-19-44-35(43)23-42)40(55)46-24-26-11-16-30(17-12-26)47-37(53)10-6-20-45-36(52)9-4-3-8-34-38-33(25-57-34)49-41(56)50-38/h11-18,21-22,32-34,38H,3-10,19-20,23-25H2,1-2H3,(H2,43,44)(H,45,52)(H,46,55)(H,47,53)(H,48,54)(H2,49,50,56)/t32-,33?,34?,38?/s2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 3.50E+3n/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