Compile Data Set for Download or QSAR

Found 420 hits with Last Name = 'lecci' and Initial = 'c'   

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))	BDBM449872 (US10703741, Compound I-15) Show SMILES COc1cc(cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2C[C@H](OC(=O)C=C)[C@@H]1[C@@H]2N |TLB:32:31:28.27:38,25:27:31.30:38| Show InChI InChI=1S/C30H32N6O4/c1-4-24(37)40-23-13-19-15-36(27(23)25(19)31)30(38)18-10-20-26(22(12-18)39-3)34(2)29(33-20)21-11-17-6-5-9-32-28(17)35(21)14-16-7-8-16/h4-6,9-12,16,19,23,25,27H,1,7-8,13-15,31H2,2-3H3/t19-,23+,25-,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Padlock Therapeutics, Inc. US Patent					Assay Description Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				US Patent US10703741 (2020) BindingDB Entry DOI: 10.7270/Q2P55RJQ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Mus musculus)	BDBM449871 (US10703741, Compound I-14) Show SMILES COc1cc(cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2C[C@H](NC(=O)C=C)[C@@H]1[C@@H]2N |THB:32:31:38:27.28,25:27:38:30.31| Show InChI InChI=1S/C30H33N7O3/c1-4-24(38)33-21-11-19-15-37(27(21)25(19)31)30(39)18-10-20-26(23(13-18)40-3)35(2)29(34-20)22-12-17-6-5-9-32-28(17)36(22)14-16-7-8-16/h4-6,9-10,12-13,16,19,21,25,27H,1,7-8,11,14-15,31H2,2-3H3,(H,33,38)/t19-,21+,25-,27-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Padlock Therapeutics, Inc. US Patent					Assay Description Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				US Patent US10703741 (2020) BindingDB Entry DOI: 10.7270/Q2P55RJQ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Mus musculus)	BDBM449861 (US10703741, Compound I-4 | US10703741, Compound I-...) Show SMILES CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1 Show InChI InChI=1S/C30H36N8O2/c1-36(2)13-5-7-27(39)33-23-16-31-17-24(23)35-30(40)21-10-11-25-22(14-21)34-29(37(25)3)26-15-20-6-4-12-32-28(20)38(26)18-19-8-9-19/h4-7,10-12,14-15,19,23-24,31H,8-9,13,16-18H2,1-3H3,(H,33,39)(H,35,40)/b7-5+/t23-,24-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Padlock Therapeutics, Inc. US Patent					Assay Description Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				US Patent US10703741 (2020) BindingDB Entry DOI: 10.7270/Q2P55RJQ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Mus musculus)	BDBM449862 (US10703741, Compound I-5) Show SMILES CN(C)C\C=C\C(=O)N[C@H]1CNC[C@@H]1NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1 Show InChI InChI=1S/C30H36N8O2/c1-36(2)13-5-7-27(39)33-23-16-31-17-24(23)35-30(40)21-10-11-25-22(14-21)34-29(37(25)3)26-15-20-6-4-12-32-28(20)38(26)18-19-8-9-19/h4-7,10-12,14-15,19,23-24,31H,8-9,13,16-18H2,1-3H3,(H,33,39)(H,35,40)/b7-5+/t23-,24-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Padlock Therapeutics, Inc. US Patent					Assay Description Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				US Patent US10703741 (2020) BindingDB Entry DOI: 10.7270/Q2P55RJQ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Mus musculus)	BDBM449859 (US10703741, Compound I-2) Show SMILES COc1cc(cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c12)C(=O)N[C@@H]1CNC[C@H]1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C32H39N7O3/c1-37(2)13-7-10-29(40)34-24-17-33-18-25(24)36-32(41)22-14-23-30(28(16-22)42-4)38(3)31(35-23)27-15-21-8-5-6-9-26(21)39(27)19-20-11-12-20/h5-10,14-16,20,24-25,33H,11-13,17-19H2,1-4H3,(H,34,40)(H,36,41)/b10-7+/t24-,25-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Padlock Therapeutics, Inc. US Patent					Assay Description Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				US Patent US10703741 (2020) BindingDB Entry DOI: 10.7270/Q2P55RJQ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM449859 (US10703741, Compound I-2) Show SMILES COc1cc(cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c12)C(=O)N[C@@H]1CNC[C@H]1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C32H39N7O3/c1-37(2)13-7-10-29(40)34-24-17-33-18-25(24)36-32(41)22-14-23-30(28(16-22)42-4)38(3)31(35-23)27-15-21-8-5-6-9-26(21)39(27)19-20-11-12-20/h5-10,14-16,20,24-25,33H,11-13,17-19H2,1-4H3,(H,34,40)(H,36,41)/b10-7+/t24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Padlock Therapeutics, Inc. US Patent					Assay Description Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				US Patent US10703741 (2020) BindingDB Entry DOI: 10.7270/Q2P55RJQ
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528737 (US11198681, Compound I-62) Show SMILES COc1cc(cc2nc(-c3ccc(C#N)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528739 (US11198681, Compound I-64) Show SMILES COc1cc(cc2nc(-c3cnc(-c4ccccn4)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528740 (US11198681, Compound I-65) Show SMILES COc1cc(cc2nc(-c3cnc(-c4ccccc4)n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:27:29:32.33:35| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528740 (US11198681, Compound I-65) Show SMILES COc1cc(cc2nc(-c3cnc(-c4ccccc4)n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:27:29:32.33:35| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528744 (US11198681, Compound I-69) Show SMILES COc1cc(cc2nc(-c3ccc(C#N)n3CC3CC3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528744 (US11198681, Compound I-69) Show SMILES COc1cc(cc2nc(-c3ccc(C#N)n3CC3CC3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528746 (US11198681, Compound I-70) Show SMILES COc1cc(cc2nc(-c3ccc(C#N)n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:23:25:28.29:31| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528746 (US11198681, Compound I-70) Show SMILES COc1cc(cc2nc(-c3ccc(C#N)n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:23:25:28.29:31| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528747 (US11198681, Compound I-71) Show SMILES COc1cc(cc2nc(-c3cnc(-c4cnn(C)c4)n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:27:29:32.33:35| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528749 (US11198681, Compound I-73) Show SMILES COc1cc(cc2nc(-c3ccc(C#N)n3CC3CC3)n(C[C@H]3C[C@](C)(C3)OC)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,wU:34.38,37.42,38.45,24.26,wD:22.23,24.29,TLB:30:32:35.36:38,(-2.56,-1.4,;-1.23,-.63,;-1.23,.91,;-2.56,1.68,;-2.56,3.22,;-1.23,3.99,;.11,3.22,;1.57,3.69,;2.48,2.45,;4.02,2.45,;4.92,3.69,;6.39,3.22,;6.39,1.68,;7.63,.77,;8.87,-.13,;4.92,1.2,;4.45,-.26,;5.48,-1.41,;5.8,-2.92,;6.94,-1.89,;1.57,1.2,;2.05,-.26,;1.02,-1.41,;-.52,-1.41,;-.52,-2.95,;-2.01,-3.35,;1.02,-2.95,;-.92,-4.44,;.17,-5.53,;.11,1.68,;-3.89,3.99,;-3.89,5.53,;-5.23,3.22,;-5.23,1.68,;-6.56,.91,;-7.89,1.68,;-7.89,3.22,;-6.56,3.99,;-6.96,2.5,;-8.87,2.5,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528754 (US11198681, Compound I-78) Show SMILES CO[C@]1(C)C[C@H](Cn2c(nc3cc(cc(F)c23)C(=O)N2C[C@H]3CC[C@@H]2[C@@H]3N)-c2ccc(C#N)n2CC2CC2)C1 |r,wU:21.22,24.26,25.29,2.2,wD:5.5,2.1,TLB:17:19:22.23:25,(.17,-5.53,;-.92,-4.44,;-.52,-2.95,;-2.01,-3.35,;-.52,-1.41,;1.02,-1.41,;2.05,-.26,;1.57,1.2,;2.48,2.45,;1.57,3.69,;.11,3.22,;-1.23,3.99,;-2.56,3.22,;-2.56,1.68,;-1.23,.91,;-1.23,-.63,;.11,1.68,;-3.89,3.99,;-3.89,5.53,;-5.23,3.22,;-5.23,1.68,;-6.56,.91,;-7.89,1.68,;-7.89,3.22,;-6.56,3.99,;-6.96,2.5,;-8.87,2.5,;4.02,2.45,;4.92,3.69,;6.39,3.22,;6.39,1.68,;7.63,.77,;8.87,-.13,;4.92,1.2,;4.45,-.26,;5.48,-1.41,;5.8,-2.92,;6.94,-1.89,;1.02,-2.95,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528757 (US11198681, Compound I-81) Show SMILES COc1cc(cc2nc(-c3ccc(C#N)n3C3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:22:24:27.28:30| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528758 (US11198681, Compound I-82) Show SMILES COc1cc(cc2nc(-c3ccc(C#N)n3CC(F)(F)F)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:24:26:29.30:32| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528760 (US11198681, Compound I-84) Show SMILES COc1cc(cc2nc(-c3ccc(C#N)n3C[C@@H](C)c3ccccc3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:28:30:33.34:36| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528761 (US11198681, Compound I-85) Show SMILES COc1cc(cc2nc(-c3ccc(C#N)n3C[C@H](C)c3ccccc3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:28:30:33.34:36| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528762 (US11198681, Compound I-86) Show SMILES CCn1c(nc2cc(cc(OC)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N)-c1cnc(-c2ccccc2)n1CC1CC1 |r,TLB:13:15:18.19:21| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528764 (US11198681, Compound I-87) Show SMILES Cn1c(nc2cc(cc(F)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N)-c1cnc(-c2ccccc2)n1CC1CC1 |r,TLB:11:13:16.17:19| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528766 (US11198681, Compound I-89) Show SMILES COc1cc(cc2nc(-c3ccc(C#N)n3C[C@H]3C[C@](C)(C3)OC)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,wU:31.34,34.38,35.41,19.20,wD:17.17,19.23,TLB:27:29:32.33:35,(-2.92,-1.95,;-1.59,-1.18,;-1.59,.36,;-2.92,1.13,;-2.92,2.67,;-1.59,3.44,;-.25,2.67,;1.21,3.15,;2.12,1.9,;3.66,1.9,;4.56,3.15,;6.03,2.67,;6.03,1.13,;7.27,.23,;8.51,-.68,;4.56,.66,;4.09,-.81,;5.12,-1.95,;5.12,-3.49,;6.66,-3.49,;7.06,-4.98,;6.66,-1.95,;8.15,-3.89,;9.23,-2.8,;1.21,.66,;1.69,-.81,;-.25,1.13,;-4.25,3.44,;-4.25,4.98,;-5.59,2.67,;-5.59,1.13,;-6.92,.36,;-8.25,1.13,;-8.25,2.67,;-6.92,3.44,;-7.32,1.95,;-9.23,1.95,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528769 (US11198681, Compound I-92) Show SMILES CCc1c(ccn1S(=O)(=O)c1ccc(C)cc1)-c1nc2cc(cc(OC)c2n1C)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:29:31:34.35:37| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528778 (US11198681, Compound I-102) Show SMILES COc1cc(cc2nc(-c3cccc(=O)n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:23:25:28.29:31| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528781 (US11198681, Compound I-105) Show SMILES COc1cc(cc2nc(-c3cccnc3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:22:24:27.28:30| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Mus musculus)	BDBM528721 (US11198681, Compound I-48) Show SMILES COc1cc(cc2nc(-c3ccc(C(=O)Nc4ccccc4)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528791 (US11198681, Compound I-117) Show SMILES COc1cc(cc2nc(-c3ccc(F)nc3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:23:25:28.29:31| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528790 (US11198681, Compound I-115) Show SMILES COc1cc(cc2nc(-c3ccc(C)nc3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:23:25:28.29:31| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528787 (US11198681, Compound I-112) Show SMILES COc1cc(cc2nc(-c3ccc(C)c(=O)n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:24:26:29.30:32| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528719 (US11198681, Compound I-46) Show SMILES COc1cc(cc2nc(-c3cnc(-c4ccccc4)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528784 (US11198681, Compound I-108) Show SMILES COc1cc(cc2nc(-c3cccnc3CC3CC3C)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:23:25:28.29:31| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528786 (US11198681, Compound I-111) Show SMILES COc1cc(cc2nc(-c3ccc(Br)c(=O)n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:24:26:29.30:32| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528719 (US11198681, Compound I-46) Show SMILES COc1cc(cc2nc(-c3cnc(-c4ccccc4)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Mus musculus)	BDBM528716 (US11198681, Compound I-43) Show SMILES COc1cc(cc2nc(-c3ccc(C(=O)N(Cc4ccccc4)c4ccccc4)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528716 (US11198681, Compound I-43) Show SMILES COc1cc(cc2nc(-c3ccc(C(=O)N(Cc4ccccc4)c4ccccc4)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528710 (US11198681, Compound I-37) Show SMILES COc1cc(cc2nc(-c3ccc(Cc4ccccc4)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528703 (US11198681, Compound I-30) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(\C=C\c2ccccc2)n1CC1CC1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528701 (US11198681, Compound I-28) Show SMILES COc1cc(cc2nc(-c3ccc(-c4ccccn4)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528693 (US11198681, Compound I-20) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(Br)n1CC1CC1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM528682 (US11198681, Compound I-9) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(-c2ccccc2)n1CC1CC1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930XB3
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM501468 (US11026937, Compound I-61) Show SMILES Cc1ccncc1\C=C\C(=O)c1c(-c2ccccc2)c2cc(F)ccc2[nH]c1=O Show InChI InChI=1S/C24H17FN2O2/c1-15-11-12-26-14-17(15)7-10-21(28)23-22(16-5-3-2-4-6-16)19-13-18(25)8-9-20(19)27-24(23)29/h2-14H,1H3,(H,27,29)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padlock Therapeutics, Inc. US Patent					Assay Description Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...				US Patent US11026937 (2021) BindingDB Entry DOI: 10.7270/Q2R78JB0
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM501409 (US11026937, Compound I-4) Show SMILES CN(C)CCOc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3cc(F)ccc3[nH]c2=O)cn1 Show InChI InChI=1S/C27H24FN3O3/c1-31(2)14-15-34-24-13-9-18(17-29-24)8-12-23(32)26-25(19-6-4-3-5-7-19)21-16-20(28)10-11-22(21)30-27(26)33/h3-13,16-17H,14-15H2,1-2H3,(H,30,33)/b12-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padlock Therapeutics, Inc. US Patent					Assay Description Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...				US Patent US11026937 (2021) BindingDB Entry DOI: 10.7270/Q2R78JB0
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM501476 (US11026937, Compound I-68) Show SMILES Brc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C23H15BrN2O2/c24-17-9-10-19-18(13-17)21(16-6-2-1-3-7-16)22(23(28)26-19)20(27)11-8-15-5-4-12-25-14-15/h1-14H,(H,26,28)/b11-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padlock Therapeutics, Inc. US Patent					Assay Description Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...				US Patent US11026937 (2021) BindingDB Entry DOI: 10.7270/Q2R78JB0
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM501484 (US11026937, Compound I-76) Show SMILES Clc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C23H15ClN2O2/c24-17-9-10-19-18(13-17)21(16-6-2-1-3-7-16)22(23(28)26-19)20(27)11-8-15-5-4-12-25-14-15/h1-14H,(H,26,28)/b11-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padlock Therapeutics, Inc. US Patent					Assay Description Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...				US Patent US11026937 (2021) BindingDB Entry DOI: 10.7270/Q2R78JB0
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM501488 (US11026937, Compound I-80) Show SMILES Clc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H14ClN3O2/c23-16-7-8-18-17(10-16)20(15-4-2-1-3-5-15)21(22(28)26-18)19(27)9-6-14-11-24-13-25-12-14/h1-13H,(H,26,28)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padlock Therapeutics, Inc. US Patent					Assay Description Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...				US Patent US11026937 (2021) BindingDB Entry DOI: 10.7270/Q2R78JB0
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM501531 (US11026937, Compound I-107) Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C23H15FN2O2/c24-17-9-10-19-18(13-17)21(16-6-2-1-3-7-16)22(23(28)26-19)20(27)11-8-15-5-4-12-25-14-15/h1-14H,(H,26,28)/b11-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padlock Therapeutics, Inc. US Patent					Assay Description Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...				US Patent US11026937 (2021) BindingDB Entry DOI: 10.7270/Q2R78JB0
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM501466 (US11026937, Compound I-60) Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccc(=O)n(CC#C)c3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C26H17FN2O3/c1-2-14-29-16-17(9-13-23(29)31)8-12-22(30)25-24(18-6-4-3-5-7-18)20-15-19(27)10-11-21(20)28-26(25)32/h1,3-13,15-16H,14H2,(H,28,32)/b12-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padlock Therapeutics, Inc. US Patent					Assay Description Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...				US Patent US11026937 (2021) BindingDB Entry DOI: 10.7270/Q2R78JB0
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM501459 (US11026937, Compound I-53) Show SMILES Fc1ccc2c(-c3ccccc3)c(C(=O)\C=C\c3cncnc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C22H14FN3O2/c23-16-7-8-17-18(10-16)26-22(28)21(20(17)15-4-2-1-3-5-15)19(27)9-6-14-11-24-13-25-12-14/h1-13H,(H,26,28)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padlock Therapeutics, Inc. US Patent					Assay Description Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...				US Patent US11026937 (2021) BindingDB Entry DOI: 10.7270/Q2R78JB0
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 420 total )  |  Next  |  Last  >>

Jump to: