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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Peptidylarginine deiminase 4 (PAD4)'   
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
Peptidylarginine deiminase 4 (PAD4)


(Homo sapiens (Human))
BDBM144277
PNG
(US8969333, YW3-56)
Show SMILES CN(C)c1ccc2cc(ccc2c1)C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc1ccccc1
Show InChI InChI=1/C27H32ClN5O2/c1-33(2)23-13-12-20-15-22(11-10-21(20)16-23)26(34)32-24(9-6-14-30-25(29)17-28)27(35)31-18-19-7-4-3-5-8-19/h3-5,7-8,10-13,15-16,24H,6,9,14,17-18H2,1-2H3,(H2,29,30)(H,31,35)(H,32,34)/t24-/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
Peptidylarginine deiminase 4 (PAD4)


(Homo sapiens (Human))
BDBM144276
PNG
(US8969333, YW4-03)
Show SMILES ClCC(=N)NCCC[C@H](NC(=O)c1cccc(c1)-c1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1/C27H29ClN4O2/c28-18-25(29)30-16-8-15-24(27(34)31-19-20-9-3-1-4-10-20)32-26(33)23-14-7-13-22(17-23)21-11-5-2-6-12-21/h1-7,9-14,17,24H,8,15-16,18-19H2,(H2,29,30)(H,31,34)(H,32,33)/t24-/s2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 5.00E+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
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

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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
Peptidylarginine deiminase 4 (PAD4)


(Homo sapiens (Human))
BDBM144274
PNG
(US8969333, BL1-07)
Show SMILES ClCC(=N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1/C21H25ClN4O2/c22-14-19(23)24-13-7-12-18(26-20(27)17-10-5-2-6-11-17)21(28)25-15-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H2,23,24)(H,25,28)(H,26,27)/t18-/s2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a>2.00E+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
Peptidylarginine deiminase 4 (PAD4)


(Homo sapiens (Human))
BDBM144275
PNG
(US8969333, YW3-88)
Show SMILES ClCC(=N)NCCC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1/C27H29ClN4O2/c28-18-25(29)30-17-7-12-24(27(34)31-19-20-8-3-1-4-9-20)32-26(33)23-15-13-22(14-16-23)21-10-5-2-6-11-21/h1-6,8-11,13-16,24H,7,12,17-19H2,(H2,29,30)(H,31,34)(H,32,33)/t24-/s2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a>2.00E+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