Compile Data Set for Download or QSAR

Found 2040 hits Enz. Inhib. hit(s) with Target = 'Protein-arginine deiminase type-4'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50355665 (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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50355656 (CHEMBL1910970) Show SMILES NC(CF)=NCCC[C@H](NC(=O)c1ccccc1C(O)=O)C(N)=O |r,w:4.4| Show InChI InChI=1S/C15H19FN4O4/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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50447757 (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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute-Florida Curated by ChEMBL					Assay Description Inhibition of recombinant wild-type PAD4 (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-4 (Homo sapiens (Human))	BDBM454161 (US10716791, Code KP-226) Show SMILES S.COC(=O)[C@H](CCN1CCNCC1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C14H21N3O4/c1-20-14(19)11(4-7-17-8-5-15-6-9-17)16-13(18)12-3-2-10-21-12/h2-3,10-11,15H,4-9H2,1H3,(H,16,18)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.76E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...				US Patent US10716791 (2020) BindingDB Entry DOI: 10.7270/Q2K35XPZ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454160 (US10716791, Code KP-224) Show SMILES S.COC(=O)[C@H](CN1CCNCC1)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C15H27N3O3/c1-21-15(20)13(11-18-9-7-16-8-10-18)17-14(19)12-5-3-2-4-6-12/h12-13,16H,2-11H2,1H3,(H,17,19)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...				US Patent US10716791 (2020) BindingDB Entry DOI: 10.7270/Q2K35XPZ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50248829 (CHEMBL4084229) Show SMILES CC1(C)NC(=O)N(CCc2nnn[nH]2)C1=O Show InChI InChI=1S/C8H12N6O2/c1-8(2)6(15)14(7(16)9-8)4-3-5-10-12-13-11-5/h3-4H2,1-2H3,(H,9,16)(H,10,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PAD4 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethylester ...				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50246191 (CHEMBL4089260) Show SMILES Cn1cccc1C(=O)N[C@@H](CCn1ccnn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C19H22N6O2/c1-24-11-5-8-17(24)19(27)22-16(9-12-25-13-10-21-23-25)18(26)20-14-15-6-3-2-4-7-15/h2-8,10-11,13,16H,9,12,14H2,1H3,(H,20,26)(H,22,27)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454175 (US10716791, Code KP-314) Show SMILES Cn1cccc1C(=O)N[C@H](CCn1ccnn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C19H22N6O2/c1-24-11-5-8-17(24)19(27)22-16(9-12-25-13-10-21-23-25)18(26)20-14-15-6-3-2-4-7-15/h2-8,10-11,13,16H,9,12,14H2,1H3,(H,20,26)(H,22,27)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...				US Patent US10716791 (2020) BindingDB Entry DOI: 10.7270/Q2K35XPZ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454172 (US10716791, Code KP-305) Show SMILES Cn1cccc1C(=O)N[C@@H](Cn1ccnc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C19H21N5O2/c1-23-10-5-8-17(23)19(26)22-16(13-24-11-9-20-14-24)18(25)21-12-15-6-3-2-4-7-15/h2-11,14,16H,12-13H2,1H3,(H,21,25)(H,22,26)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...				US Patent US10716791 (2020) BindingDB Entry DOI: 10.7270/Q2K35XPZ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454162 (BDBM50246174 | US10716791, Code KP-286) Show SMILES CC(C)NC(=O)[C@H](CCn1ccnc1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C15H20N4O3/c1-11(2)17-14(20)12(5-7-19-8-6-16-10-19)18-15(21)13-4-3-9-22-13/h3-4,6,8-12H,5,7H2,1-2H3,(H,17,20)(H,18,21)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50266539 ((4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,...) Show SMILES CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O |r| Show InChI InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,11,13,15,26,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,11?,13?,15-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of PAD4 measured by intercept plot of Lineweaver-Burke analyses				Bioorg Med Chem 16: 739-45 (2008) Article DOI: 10.1016/j.bmc.2007.10.021 BindingDB Entry DOI: 10.7270/Q24F1RKF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50355657 (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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50422012 (Klinomycin | MINOCYCLINE | Minocin | Vectrin) Show SMILES CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C Show InChI InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,14,16-17,27,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,14?,16?,17-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of PAD4 measured by intercept plot of Lineweaver-Burke analyses				Bioorg Med Chem 16: 739-45 (2008) Article DOI: 10.1016/j.bmc.2007.10.021 BindingDB Entry DOI: 10.7270/Q24F1RKF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454169 (BDBM50246180 | US10716791, Code KP-302) Show SMILES Cn1cccc1C(=O)N[C@@H](CCn1ccnc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C20H23N5O2/c1-24-11-5-8-18(24)20(27)23-17(9-12-25-13-10-21-15-25)19(26)22-14-16-6-3-2-4-7-16/h2-8,10-11,13,15,17H,9,12,14H2,1H3,(H,22,26)(H,23,27)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454169 (BDBM50246180 | US10716791, Code KP-302) Show SMILES Cn1cccc1C(=O)N[C@@H](CCn1ccnc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C20H23N5O2/c1-24-11-5-8-18(24)20(27)23-17(9-12-25-13-10-21-15-25)19(26)22-14-16-6-3-2-4-7-16/h2-8,10-11,13,15,17H,9,12,14H2,1H3,(H,22,26)(H,23,27)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...				US Patent US10716791 (2020) BindingDB Entry DOI: 10.7270/Q2K35XPZ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50426302 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.83E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PAD4 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethylester ...				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454170 (US10716791, Code KP-303) Show SMILES O=C(NCc1ccccc1)[C@H](CCn1ccnc1)NC(=O)N1CCCCC1 |r| Show InChI InChI=1S/C20H27N5O2/c26-19(22-15-17-7-3-1-4-8-17)18(9-13-24-14-10-21-16-24)23-20(27)25-11-5-2-6-12-25/h1,3-4,7-8,10,14,16,18H,2,5-6,9,11-13,15H2,(H,22,26)(H,23,27)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...				US Patent US10716791 (2020) BindingDB Entry DOI: 10.7270/Q2K35XPZ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50355658 (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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454165 (BDBM50246195 | US10716791, Code KP-289) Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C17H28N4O3/c1-13(2)18-16(22)14(19-17(23)15-5-4-12-24-15)6-7-21-10-8-20(3)9-11-21/h4-5,12-14H,6-11H2,1-3H3,(H,18,22)(H,19,23)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.88E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454165 (BDBM50246195 | US10716791, Code KP-289) Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C17H28N4O3/c1-13(2)18-16(22)14(19-17(23)15-5-4-12-24-15)6-7-21-10-8-20(3)9-11-21/h4-5,12-14H,6-11H2,1-3H3,(H,18,22)(H,19,23)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.88E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...				US Patent US10716791 (2020) BindingDB Entry DOI: 10.7270/Q2K35XPZ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50266539 ((4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,...) Show SMILES CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O |r| Show InChI InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,11,13,15,26,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,11?,13?,15-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	5.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of PAD4 measured by slope plot of Lineweaver-Burke analyses				Bioorg Med Chem 16: 739-45 (2008) Article DOI: 10.1016/j.bmc.2007.10.021 BindingDB Entry DOI: 10.7270/Q24F1RKF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50422012 (Klinomycin | MINOCYCLINE | Minocin | Vectrin) Show SMILES CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C Show InChI InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,14,16-17,27,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,14?,16?,17-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of PAD4 measured by slope plot of Lineweaver-Burke analyses				Bioorg Med Chem 16: 739-45 (2008) Article DOI: 10.1016/j.bmc.2007.10.021 BindingDB Entry DOI: 10.7270/Q24F1RKF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50366387 (STREPTOMYCIN) Show SMILES [#6]-[#7]-[#6@H]-1-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#6]-[#8])-[#8]-[#6@H]-1-[#8]-[#6@H]1-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@H]-2\[#7]=[#6](/[#7])-[#7])-[#8]-[#6@@H](-[#6])[C@]1([#8])[#6]=O Show InChI InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of PAD4 measured by slope plot of Lineweaver-Burke analyses				Bioorg Med Chem 16: 739-45 (2008) Article DOI: 10.1016/j.bmc.2007.10.021 BindingDB Entry DOI: 10.7270/Q24F1RKF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454164 (BDBM50246192 | US10716791, Code KP-288) Show SMILES CC(C)NC(=O)[C@H](CCn1cnc(CC#N)c1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C17H21N5O3/c1-12(2)20-16(23)14(21-17(24)15-4-3-9-25-15)6-8-22-10-13(5-7-18)19-11-22/h3-4,9-12,14H,5-6,8H2,1-2H3,(H,20,23)(H,21,24)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.91E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454164 (BDBM50246192 | US10716791, Code KP-288) Show SMILES CC(C)NC(=O)[C@H](CCn1cnc(CC#N)c1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C17H21N5O3/c1-12(2)20-16(23)14(21-17(24)15-4-3-9-25-15)6-8-22-10-13(5-7-18)19-11-22/h3-4,9-12,14H,5-6,8H2,1-2H3,(H,20,23)(H,21,24)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.91E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...				US Patent US10716791 (2020) BindingDB Entry DOI: 10.7270/Q2K35XPZ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM52947 ((2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methyl...) Show SMILES C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,12-15,17,25,27,32H,1-3H3,(H2,23,31)/t7-,10+,12?,13?,14+,15-,17-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	6.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of PAD4 measured by intercept plot of Lineweaver-Burke analyses				Bioorg Med Chem 16: 739-45 (2008) Article DOI: 10.1016/j.bmc.2007.10.021 BindingDB Entry DOI: 10.7270/Q24F1RKF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50248830 (CHEMBL4089583) Show SMILES CC1(C)NC(=O)N(CCn2ccnc2)C1=O Show InChI InChI=1S/C10H14N4O2/c1-10(2)8(15)14(9(16)12-10)6-5-13-4-3-11-7-13/h3-4,7H,5-6H2,1-2H3,(H,12,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	6.32E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PAD4 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethylester ...				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454162 (BDBM50246174 | US10716791, Code KP-286) Show SMILES CC(C)NC(=O)[C@H](CCn1ccnc1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C15H20N4O3/c1-11(2)17-14(20)12(5-7-19-8-6-16-10-19)18-15(21)13-4-3-9-22-13/h3-4,6,8-12H,5,7H2,1-2H3,(H,17,20)(H,18,21)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.14E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...				US Patent US10716791 (2020) BindingDB Entry DOI: 10.7270/Q2K35XPZ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454168 (US10716791, Code KP-300) Show SMILES O=C(OCc1ccccc1)[C@H](Cn1ccnc1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C18H17N3O4/c22-17(16-7-4-10-24-16)20-15(11-21-9-8-19-13-21)18(23)25-12-14-5-2-1-3-6-14/h1-10,13,15H,11-12H2,(H,20,22)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.07E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...				US Patent US10716791 (2020) BindingDB Entry DOI: 10.7270/Q2K35XPZ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454167 (US10716791, Code KP-298) Show SMILES COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C12H13N3O4/c1-18-12(17)9(7-15-5-4-13-8-15)14-11(16)10-3-2-6-19-10/h2-6,8-9H,7H2,1H3,(H,14,16)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.24E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...				US Patent US10716791 (2020) BindingDB Entry DOI: 10.7270/Q2K35XPZ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50248824 (CHEMBL4059499) Show SMILES CC1(C)NC(=O)N(CCN2CCOCC2)C1=O Show InChI InChI=1S/C11H19N3O3/c1-11(2)9(15)14(10(16)12-11)4-3-13-5-7-17-8-6-13/h3-8H2,1-2H3,(H,12,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.43E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PAD4 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethylester ...				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454173 (US10716791, Code KP-310) Show SMILES CC(C)(C)OC(=O)N[C@H](CCN=[N+]=[N-])C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C16H23N5O3/c1-16(2,3)24-15(23)20-13(9-10-19-21-17)14(22)18-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,23)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.45E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...				US Patent US10716791 (2020) BindingDB Entry DOI: 10.7270/Q2K35XPZ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50246193 (CHEMBL4061099) Show SMILES O=C(NCc1ccccc1)[C@H](CCn1ccnn1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C18H19N5O3/c24-17(19-13-14-5-2-1-3-6-14)15(8-10-23-11-9-20-22-23)21-18(25)16-7-4-12-26-16/h1-7,9,11-12,15H,8,10,13H2,(H,19,24)(H,21,25)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.82E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454174 (US10716791, Code KP-313) Show SMILES O=C(NCc1ccccc1)[C@@H](CCn1ccnn1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C18H19N5O3/c24-17(19-13-14-5-2-1-3-6-14)15(8-10-23-11-9-20-22-23)21-18(25)16-7-4-12-26-16/h1-7,9,11-12,15H,8,10,13H2,(H,19,24)(H,21,25)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.82E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...				US Patent US10716791 (2020) BindingDB Entry DOI: 10.7270/Q2K35XPZ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50248831 (CHEMBL4102346) Show SMILES CC1(C)NC(=O)N(CCN2CCCC2)C1=O Show InChI InChI=1S/C11H19N3O2/c1-11(2)9(15)14(10(16)12-11)8-7-13-5-3-4-6-13/h3-8H2,1-2H3,(H,12,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.64E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PAD4 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethylester ...				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50246179 (CHEMBL4081389) Show SMILES O=C(NCc1ccccc1)[C@H](CCn1ccnc1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C19H20N4O3/c24-18(21-13-15-5-2-1-3-6-15)16(8-10-23-11-9-20-14-23)22-19(25)17-7-4-12-26-17/h1-7,9,11-12,14,16H,8,10,13H2,(H,21,24)(H,22,25)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50246173 (CHEMBL4082498) Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C19H36N4O2/c1-15(2)20-19(25)17(9-10-23-13-11-22(3)12-14-23)21-18(24)16-7-5-4-6-8-16/h15-17H,4-14H2,1-3H3,(H,20,25)(H,21,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454163 (BDBM50246172 | US10716791, Code KP-287) Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C17H33N5O3/c1-14(2)18-16(23)15(4-5-21-8-6-20(3)7-9-21)19-17(24)22-10-12-25-13-11-22/h14-15H,4-13H2,1-3H3,(H,18,23)(H,19,24)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454166 (US10716791, Code KP-292) Show SMILES CC(C)NC(=O)[C@H](Cn1ccnc1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C14H23N5O3/c1-11(2)16-13(20)12(9-18-4-3-15-10-18)17-14(21)19-5-7-22-8-6-19/h3-4,10-12H,5-9H2,1-2H3,(H,16,20)(H,17,21)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.49E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network US Patent					Assay Description Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Col...				US Patent US10716791 (2020) BindingDB Entry DOI: 10.7270/Q2K35XPZ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50581618 (CHEMBL5070220) Show SMILES [H][C@@]12C[C@@]1(F)CCCC(F)(F)Cn1c(cc3ccc(nc13)C(C)NC2=O)-c1nc2cc(cc(F)c2n1C1CC1)C(=O)N1CCC[C@@H](N)[C@H]1C |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PAD4 using BAEE as substrate incubated for 30 mins by spectrophotometric based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00689 BindingDB Entry DOI: 10.7270/Q2251P12
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50581619 (CHEMBL5083901) Show SMILES [H][C@@]12C(CCCCCn3c(cc4ccc(nc34)C(C)NC1=O)-c1nc3cc(cc(OC)c3n1C)C(=O)N1C[C@H](N)[C@]3([H])CC[C@@]1([H])C3)C2(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PAD4 using BAEE as substrate incubated for 30 mins by spectrophotometric based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00689 BindingDB Entry DOI: 10.7270/Q2251P12
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50581620 (CHEMBL5070080) Show SMILES [H][C@@]12CC[C@@]([H])(C1)N(C(=O)c1cc(OC)c3n(C)c(nc3c1)-c1cc3ccc4nc3n1CCCCCc1ccccc1C(=O)NC4C)C([2H])([2H])[C@@H]2N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PAD4 using BAEE as substrate incubated for 30 mins by spectrophotometric based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00689 BindingDB Entry DOI: 10.7270/Q2251P12
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50581621 (CHEMBL5087104) Show SMILES C[C@@H]1[C@H](N)CCCN1C(=O)c1cc(F)c2n(C3CC3)c(nc2c1)-c1cc2ccc3nc2n1CCCCCc1nc2ccsc2cc1C(=O)NC3C |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PAD4 using BAEE as substrate incubated for 30 mins by spectrophotometric based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00689 BindingDB Entry DOI: 10.7270/Q2251P12
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583581 (US11524959, Compound 473.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc4c(O)ccnc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50581617 (CHEMBL5093574) Show SMILES [H][C@@]12CC[C@@]([H])(C1)N(C[C@@H]2N)C(=O)c1cc(F)c2n(C3CC3)c(nc2c1)-c1cc2ccc3nc2n1CCCCCc1nc(C)ccc1C(=O)NC3C |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PAD4 using BAEE as substrate incubated for 30 mins by spectrophotometric based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00689 BindingDB Entry DOI: 10.7270/Q2251P12
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50581622 (CHEMBL5080973) Show SMILES [H][C@@]12CC1CCCC(F)(F)Cn1c(cc3ccc(nc13)C(C)NC2=O)-c1nc2cc(cc(Cl)c2n1C1CC1)C(=O)N1CCC[C@@H](N)[C@H]1C |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PAD4 using BAEE as substrate incubated for 30 mins by spectrophotometric based assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00689 BindingDB Entry DOI: 10.7270/Q2251P12
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583839 (US11524959, Compound 731.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)CNC(=O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM584177 (US11524959, Compound 1069.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CC4(CCS4(=O)=O)C3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM584086 (US11524959, Compound 978. | US11524959, Compound 9...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C(C)(O)C(F)(F)F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:41:40:34.35:37.38| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583961 (US11524959, Compound 853.) Show SMILES CCOC(=O)Cn1cc(cn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:38:37:31.32:34.35| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair

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