Compile Data Set for Download or QSAR

Found 66 hits of affinity data for UniProtKB/TrEMBL: Q9Z183   

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 (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)	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 (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)	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)	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 (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 (Mus musculus)	BDBM528692 (US11198681, Compound I-19) Show SMILES COc1cc(cc2nc(-c3ccc(-c4ccccc4)n3CC(F)(F)F)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	3.00E+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)	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	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+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)	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	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+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)	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	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+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)	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	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+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)	BDBM528743 (US11198681, Compound I-68) Show SMILES COc1cc(cc2nc(-c3cnc(-c4ccccc4)n3CC3CC3)n(C)c12)C(=O)N1C[C@@H](N)CC[C@H]1C |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+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)	BDBM528741 (US11198681, Compound I-66) Show SMILES COc1cc(cc2nc(-c3cnc(-c4ccccn4)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	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+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)	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	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+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)	BDBM528728 (US11198681, Compound I-55) Show SMILES COc1cc(cc2nc(-c3ccc(C#N)n3Cc3ccccc3)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	3.00E+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)	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	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+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)	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	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+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)	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	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+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)	BDBM528711 (US11198681, Compound I-38) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1C[C@@H](N)C[C@H](F)C1)-c1ccc(Cc2ccccc2)n1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+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)	BDBM528712 (US11198681, Compound I-39) Show SMILES Cn1c(nc2cc(cnc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(Cc2ccccc2)n1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+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)	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	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+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)	BDBM528723 (US11198681, Compound I-50) Show SMILES CCn1c(nc2cc(cc(OC)c12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(C#N)n1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+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)	BDBM449858 (US10703741, Compound I-1) Show SMILES CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@H]1N(C)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1 Show InChI InChI=1S/C31H38N8O2/c1-36(2)14-6-8-28(40)34-24-17-32-18-27(24)38(4)31(41)22-11-12-25-23(15-22)35-30(37(25)3)26-16-21-7-5-13-33-29(21)39(26)19-20-9-10-20/h5-8,11-13,15-16,20,24,27,32H,9-10,14,17-19H2,1-4H3,(H,34,40)/b8-6+/t24-,27-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	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)	BDBM528750 (US11198681, Compound I-74) Show SMILES COc1cc(cc2nc(-c3ccc(C#N)n3Cc3ccccc3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:26:28:31.32:34| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.50E+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)	BDBM528705 (US11198681, Compound I-32) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(CCc2ccccc2)n1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.50E+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)	BDBM528682 (US11198681, Compound I-9) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(-c2ccccc2)n1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.50E+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)	BDBM528748 (US11198681, Compound I-72) Show SMILES COc1cc(cc2nc(-c3cnc(-c4cnn(C)c4)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	7.50E+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)	BDBM528693 (US11198681, Compound I-20) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(Br)n1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.50E+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)	BDBM449865 (US10703741, Compound I-8) Show SMILES CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@@H](C1)NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1 Show InChI InChI=1S/C31H38N8O2/c1-37(2)13-5-7-28(40)34-23-16-24(18-32-17-23)35-31(41)22-10-11-26-25(14-22)36-30(38(26)3)27-15-21-6-4-12-33-29(21)39(27)19-20-8-9-20/h4-7,10-12,14-15,20,23-24,32H,8-9,13,16-19H2,1-3H3,(H,34,40)(H,35,41)/b7-5+/t23-,24+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.50E+3	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)	BDBM528742 (US11198681, Compound I-67) Show SMILES COc1cc(cc2nc(-c3cnc(-c4ccccc4)n3CC3CC3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.50E+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)	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	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.50E+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)	BDBM449860 (US10703741, Compound I-3) Show SMILES CN(C)C\C=C\C(=O)N[C@H]1CCN(C[C@H]1N)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1 Show InChI InChI=1S/C31H38N8O2/c1-36(2)14-5-7-28(40)34-24-12-15-38(19-23(24)32)31(41)22-10-11-26-25(16-22)35-30(37(26)3)27-17-21-6-4-13-33-29(21)39(27)18-20-8-9-20/h4-7,10-11,13,16-17,20,23-24H,8-9,12,14-15,18-19,32H2,1-3H3,(H,34,40)/b7-5+/t23-,24+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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	>1.00E+4	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)	BDBM449867 (US10703741, Compound I-10) Show SMILES CN(C)C\C=C\C(=O)N[C@@H]1C[C@H](N)CN(C1)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1 Show InChI InChI=1S/C31H38N8O2/c1-36(2)13-5-7-28(40)34-24-16-23(32)18-38(19-24)31(41)22-10-11-26-25(14-22)35-30(37(26)3)27-15-21-6-4-12-33-29(21)39(27)17-20-8-9-20/h4-7,10-12,14-15,20,23-24H,8-9,13,16-19,32H2,1-3H3,(H,34,40)/b7-5+/t23-,24+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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)	BDBM528684 (US11198681, Compound I-11) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CC[C@@H]2CCN[C@@H]2C1)-c1ccc(-c2ccccc2)n1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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)	BDBM528685 (US11198681, Compound I-12) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(-c2ccccn2)n1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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)	BDBM528690 (US11198681, Compound I-17) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(-c2cccnc2)n1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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)	BDBM528691 (US11198681, Compound I-18) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(-c2ccncc2)n1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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)	BDBM528694 (US11198681, Compound I-21) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cccn1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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)	BDBM528696 (US11198681, Compound I-23) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cnc(-c2ccccc2)n1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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)	BDBM528702 (US11198681, Compound I-29) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(Cc2ccccc2)n1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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)	BDBM528708 (US11198681, Compound I-35) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cncn1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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)	BDBM528709 (US11198681, Compound I-36) Show SMILES Cc1nc(-c2ccccc2)n(CC2CC2)c1-c1nc2cc(ccc2n1C)C(=O)N1CCC[C@@H](N)C1 |r,wU:32.37,(3.91,3.85,;4.39,2.39,;5.85,1.91,;5.85,.37,;7.1,-.53,;7.1,-2.07,;8.43,-2.84,;9.76,-2.07,;9.76,-.53,;8.43,.24,;4.39,-.11,;3.91,-1.57,;4.94,-2.71,;5.26,-4.22,;6.41,-3.19,;3.48,1.14,;1.94,1.14,;1.04,2.39,;-.43,1.91,;-1.76,2.68,;-3.1,1.91,;-3.1,.37,;-1.76,-.4,;-.43,.37,;1.04,-.11,;1.51,-1.57,;-4.43,2.68,;-4.43,4.22,;-5.76,1.91,;-5.76,.37,;-7.1,-.4,;-8.43,.37,;-8.43,1.91,;-9.76,2.68,;-7.1,2.68,)| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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)	BDBM528713 (US11198681, Compound I-40) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cnc(-c2ccc(Cl)cc2)n1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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)	BDBM528714 (US11198681, Compound I-41) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cnc(Cc2ccccc2)n1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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)	BDBM528715 (US11198681, Compound I-42) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cnc(CCc2ccccc2)n1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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)	BDBM528717 (US11198681, Compound I-44) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC2CCNC2C1)-c1cnc(-c2ccccc2)n1CC1CC1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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)	BDBM528718 (US11198681, Compound I-45) Show SMILES CCn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cnc(-c2ccccc2)n1CC1CC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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)	BDBM528720 (US11198681, Compound I-47) Show SMILES CCc1nc(C)sc1-c1nc2cc(ccc2n1C)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+4	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)	BDBM528722 (US11198681, Compound I-49) Show SMILES CCc1ncccc1-c1nc2cc(cc(OC)c2n1C)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+4	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

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