Compile Data Set for Download or QSAR

Found 27 hits of ki for UniProtKB: Q9ULC6   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protein-arginine deiminase type-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.40E+3	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 PAD1 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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+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 PAD1 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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.40E+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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.46E+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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
The Scripps Research Institute Curated by ChEMBL					Assay Description Irreversible inhibition of PAD1 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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.12E+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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.12E+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 PAD1 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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.47E+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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.55E+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 PAD1 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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.53E+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 PAD1 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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.84E+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 human PAD1 using BAEE as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by colorimetric assay				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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.92E+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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.02E+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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	4.45E+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 human PAD1 using BAEE as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by colorimetric assay				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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	6.02E+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 human PAD1 using BAEE as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by colorimetric assay				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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.85E+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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.14E+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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.64E+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 PAD1 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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.09E+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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.09E+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 PAD1 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-1 (Homo sapiens (Human))	BDBM50248814 (CHEMBL4070114) Show SMILES Cc1nccn1CCN1C(=O)NC(C)(C)C1=O Show InChI InChI=1S/C11H16N4O2/c1-8-12-4-5-14(8)6-7-15-9(16)11(2,3)13-10(15)17/h4-5H,6-7H2,1-3H3,(H,13,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.42E+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 human PAD1 using BAEE as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by colorimetric assay				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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.50E+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-1 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.43E+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-1 (Homo sapiens (Human))	BDBM50246194 (CHEMBL4062179 | US10716791, Example KP-316) Show SMILES Fc1ccc(cc1)C(=O)N[C@@H](CCn1ccnn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-17-8-6-16(7-9-17)19(27)24-18(10-12-26-13-11-23-25-26)20(28)22-14-15-4-2-1-3-5-15/h1-9,11,13,18H,10,12,14H2,(H,22,28)(H,24,27)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt 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 PAD1 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-1 (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 KEGG UniProtKB/SwissProt 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 PAD1 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-1 (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 KEGG UniProtKB/SwissProt 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 PAD1 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-1 (Homo sapiens (Human))	BDBM50246194 (CHEMBL4062179 | US10716791, Example KP-316) Show SMILES Fc1ccc(cc1)C(=O)N[C@@H](CCn1ccnn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-17-8-6-16(7-9-17)19(27)24-18(10-12-26-13-11-23-25-26)20(28)22-14-15-4-2-1-3-5-15/h1-9,11,13,18H,10,12,14H2,(H,22,28)(H,24,27)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.77E+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