Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with Target = 'Protein-arginine deiminase type-2' AND taxid = 10090   

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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.97E+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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.13E+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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.00E+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 mouse N-terminal GST-tagged PAD2 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethyl ester...				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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.80E+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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.00E+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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.00E+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 mouse GST-tagged PAD2 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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.10E+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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.10E+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 mouse GST-tagged PAD2 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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.76E+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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.79E+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 mouse N-terminal GST-tagged PAD2 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethyl ester...				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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.82E+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 mouse GST-tagged PAD2 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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.82E+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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.86E+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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.54E+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 mouse GST-tagged PAD2 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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.54E+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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.00E+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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.62E+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-2 (Mus musculus)	BDBM50248832 (CHEMBL4084379) Show SMILES CC1(C)NC(=O)N(CCN2CCNCC2)C1=O Show InChI InChI=1S/C11H20N4O2/c1-11(2)9(16)15(10(17)13-11)8-7-14-5-3-12-4-6-14/h12H,3-8H2,1-2H3,(H,13,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	7.14E+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 mouse N-terminal GST-tagged PAD2 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethyl ester...				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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.39E+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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+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 mouse GST-tagged PAD2 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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.39E+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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.43E+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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.79E+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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.84E+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 mouse GST-tagged PAD2 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-2 (Mus musculus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.62E+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 mouse N-terminal GST-tagged PAD2 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethyl ester...				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-2 (Mus musculus)	BDBM454171 (US10716791, Code KP-304) Show SMILES O=C(NCc1ccccc1)[C@H](Cn1ccnc1)NC(=O)N1CCCCC1 |r| Show InChI InChI=1S/C19H25N5O2/c25-18(21-13-16-7-3-1-4-8-16)17(14-23-12-9-20-15-23)22-19(26)24-10-5-2-6-11-24/h1,3-4,7-9,12,15,17H,2,5-6,10-11,13-14H2,(H,21,25)(H,22,26)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.30E+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-2 (Mus musculus)	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 UniProtKB/SwissProt 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 mouse GST-tagged PAD2 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-2 (Mus musculus)	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 UniProtKB/SwissProt 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 mouse GST-tagged PAD2 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-2 (Mus musculus)	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 UniProtKB/SwissProt 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 mouse GST-tagged PAD2 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