new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with Target = 'Protein-arginine deiminase type-2'   
Target/Host
(Institution)
LigandTarget/Host
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
Protein-arginine deiminase type-2


(Homo sapiens (Human))
BDBM50447757
PNG
(CHEMBL57818)
Show SMILES NC1=CC(=O)c2ccc(nc2C1=O)-c1ccccn1 |t:1|
Show InChI InChI=1S/C14H9N3O2/c15-9-7-12(18)8-4-5-11(17-13(8)14(9)19)10-3-1-2-6-16-10/h1-7H,15H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.08E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute-Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type PAD2 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 10 mins followed...


Bioorg Med Chem 22: 1362-9 (2014)


Article DOI: 10.1016/j.bmc.2013.12.064
BindingDB Entry DOI: 10.7270/Q2QV3P05
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
CHEMBL4084229
PNG
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.00E+4n/an/an/an/an/an/an/an/a



University Health Network

Curated by ChEMBL




Bioorg Med Chem 25: 2643-2656 (2017)


Article DOI: 10.1016/j.bmc.2017.03.006
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
CHEMBL4099413
PNG
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.00E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL




J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
CHEMBL4089260
PNG
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.10E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL




J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
BDBM50426302
PNG
(CHEMBL2312698)
Show SMILES CC1(C)NC(=O)N(CN2CCNCC2)C1=O
Show InChI InChI=1S/C10H18N4O2/c1-10(2)8(15)14(9(16)12-10)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3,(H,12,16)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.79E+5n/an/an/an/an/an/an/an/a



University Health Network

Curated by ChEMBL




Bioorg Med Chem 25: 2643-2656 (2017)


Article DOI: 10.1016/j.bmc.2017.03.006
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
CHEMBL4061099
PNG
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.82E+5n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL




J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
CHEMBL4101345
PNG
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.54E+5n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL




J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
CHEMBL4084379
PNG
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.14E+5n/an/an/an/an/an/an/an/a



University Health Network

Curated by ChEMBL




Bioorg Med Chem 25: 2643-2656 (2017)


Article DOI: 10.1016/j.bmc.2017.03.006
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
CHEMBL4083360
PNG
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.00E+6n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL




J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
CHEMBL4087801
PNG
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.84E+6n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL




J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
CHEMBL4089583
PNG
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.62E+6n/an/an/an/an/an/an/an/a



University Health Network

Curated by ChEMBL




Bioorg Med Chem 25: 2643-2656 (2017)


Article DOI: 10.1016/j.bmc.2017.03.006
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
CHEMBL4068124
PNG
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL




J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
CHEMBL4082498
PNG
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL




J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
CHEMBL4081389
PNG
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL




J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Homo sapiens (Human))
BDBM50447760
PNG
(CHEMBL58150)
Show SMILES NC1=CC(=O)c2ccc(nc2C1=O)-c1cccc(n1)C(O)=O |t:1|
Show InChI InChI=1S/C15H9N3O4/c16-8-6-12(19)7-4-5-10(18-13(7)14(8)20)9-2-1-3-11(17-9)15(21)22/h1-6H,16H2,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



The Scripps Research Institute-Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type PAD2 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 15 mins followed...


Bioorg Med Chem 22: 1362-9 (2014)


Article DOI: 10.1016/j.bmc.2013.12.064
BindingDB Entry DOI: 10.7270/Q2QV3P05
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Homo sapiens (Human))
BDBM50447757
PNG
(CHEMBL57818)
Show SMILES NC1=CC(=O)c2ccc(nc2C1=O)-c1ccccn1 |t:1|
Show InChI InChI=1S/C14H9N3O2/c15-9-7-12(18)8-4-5-11(17-13(8)14(9)19)10-3-1-2-6-16-10/h1-7H,15H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



The Scripps Research Institute-Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type PAD2 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 15 mins followed...


Bioorg Med Chem 22: 1362-9 (2014)


Article DOI: 10.1016/j.bmc.2013.12.064
BindingDB Entry DOI: 10.7270/Q2QV3P05
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Homo sapiens (Human))
BDBM50447761
PNG
(CHEMBL60908)
Show SMILES NC1=CC(=O)c2cccnc2C1=O |t:1|
Show InChI InChI=1S/C9H6N2O2/c10-6-4-7(12)5-2-1-3-11-8(5)9(6)13/h1-4H,10H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 740n/an/an/an/an/an/a



The Scripps Research Institute-Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type PAD2 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 15 mins followed...


Bioorg Med Chem 22: 1362-9 (2014)


Article DOI: 10.1016/j.bmc.2013.12.064
BindingDB Entry DOI: 10.7270/Q2QV3P05
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Homo sapiens (Human))
BDBM50447759
PNG
(CHEMBL3113470)
Show SMILES NC1=C(Br)C(=O)c2cccnc2C1=O |c:1|
Show InChI InChI=1S/C9H5BrN2O2/c10-5-6(11)9(14)7-4(8(5)13)2-1-3-12-7/h1-3H,11H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.55E+3n/an/an/an/an/an/a



The Scripps Research Institute-Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type PAD2 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 15 mins followed...


Bioorg Med Chem 22: 1362-9 (2014)


Article DOI: 10.1016/j.bmc.2013.12.064
BindingDB Entry DOI: 10.7270/Q2QV3P05
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Homo sapiens (Human))
BDBM50355665
PNG
(CHEMBL1910971)
Show SMILES NC(CCl)=NCCC[C@H](NC(=O)c1ccccc1C(O)=O)C(N)=O |r,w:4.4|
Show InChI InChI=1S/C15H19ClN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of PAD2 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
Protein-arginine deiminase type-2


(Homo sapiens (Human))
BDBM80075
PNG
(7-bromanyl-6-methoxy-quinoline-5,8-dione | 7-bromo...)
Show SMILES COC1=C(Br)C(=O)c2ncccc2C1=O |c:2|
Show InChI InChI=1S/C10H6BrNO3/c1-15-10-6(11)9(14)7-5(8(10)13)3-2-4-12-7/h2-4H,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.32E+3n/an/an/an/an/an/a



The Scripps Research Institute-Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type PAD2 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 15 mins followed...


Bioorg Med Chem 22: 1362-9 (2014)


Article DOI: 10.1016/j.bmc.2013.12.064
BindingDB Entry DOI: 10.7270/Q2QV3P05
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Homo sapiens (Human))
BDBM50355657
PNG
(CHEMBL1910972 | CHEMBL1962361)
Show SMILES NC(=O)[C@H](CCCN=C(N)CCl)NC(=O)c1ccccc1 |r,w:7.6|
Show InChI InChI=1S/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-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of PAD2 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
Protein-arginine deiminase type-2


(Homo sapiens (Human))
BDBM50447758
PNG
(CHEBI:9287 | NSC-45383 | Nigrin | Rufocromomycin |...)
Show SMILES COC1=C(N)C(=O)c2nc(ccc2C1=O)-c1nc(C(O)=O)c(C)c(c1N)-c1ccc(OC)c(OC)c1O |c:2,(25.46,-.06,;26.8,-.83,;28.13,-.06,;28.13,1.48,;26.79,2.25,;29.46,2.25,;29.46,3.79,;30.79,1.49,;32.13,2.25,;33.46,1.48,;33.46,-.05,;32.14,-.83,;30.79,-.06,;29.47,-.83,;29.47,-2.37,;34.79,2.25,;36.13,1.48,;37.47,2.26,;38.8,1.49,;40.13,2.26,;38.81,-.05,;37.46,3.79,;38.79,4.57,;36.13,4.55,;34.79,3.79,;33.46,4.56,;36.13,6.09,;37.46,6.86,;37.46,8.42,;36.12,9.19,;36.12,10.73,;37.45,11.5,;34.8,8.42,;33.46,9.18,;33.46,10.72,;34.79,6.86,;33.46,6.09,)|
Show InChI InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.61E+4n/an/an/an/an/an/a



The Scripps Research Institute-Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild-type PAD2 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 15 mins followed...


Bioorg Med Chem 22: 1362-9 (2014)


Article DOI: 10.1016/j.bmc.2013.12.064
BindingDB Entry DOI: 10.7270/Q2QV3P05
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Homo sapiens (Human))
BDBM50355658
PNG
(CHEMBL1910973)
Show SMILES NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1 |r,w:7.6|
Show InChI InChI=1S/C14H19FN4O2/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-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of PAD2 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
Protein-arginine deiminase type-2


(Homo sapiens (Human))
BDBM50204601
PNG
(CHEMBL3891031)
Show SMILES COc1cc(cc2nc(-c3cc4ccccc4n3CC(F)(F)F)n(C)c12)C(=O)N1CC[C@@H](O)[C@@H](N)C1 |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<7.94E+4n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His/FLAG-tagged recombinant human PAD2 (1 to 665 residues) expressed in baculovirus infected sf9 cells using N-a-benzoyl-L-...


ACS Med Chem Lett 8: 19-21 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00515
BindingDB Entry DOI: 10.7270/Q20V8FSZ
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Homo sapiens (Human))
BDBM50204603
PNG
(CHEMBL3907951)
Show SMILES COc1cc(cc2nc(-c3cc4ccccc4n3CC(F)(F)F)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<7.94E+4n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His/FLAG-tagged recombinant human PAD2 (1 to 665 residues) expressed in baculovirus infected sf9 cells using N-a-benzoyl-L-...


ACS Med Chem Lett 8: 19-21 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00515
BindingDB Entry DOI: 10.7270/Q20V8FSZ
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Homo sapiens (Human))
BDBM50204602
PNG
(CHEMBL3944071)
Show SMILES COc1cc(cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<7.94E+4n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His/FLAG-tagged recombinant human PAD2 (1 to 665 residues) expressed in baculovirus infected sf9 cells using N-a-benzoyl-L-...


ACS Med Chem Lett 8: 19-21 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00515
BindingDB Entry DOI: 10.7270/Q20V8FSZ
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Homo sapiens (Human))
BDBM50204604
PNG
(CHEMBL3981570)
Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1CC1CC1 |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<7.94E+4n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His/FLAG-tagged recombinant human PAD2 (1 to 665 residues) expressed in baculovirus infected sf9 cells using N-a-benzoyl-L-...


ACS Med Chem Lett 8: 19-21 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00515
BindingDB Entry DOI: 10.7270/Q20V8FSZ
More data for this
Ligand-Target Pair