target,target_id,target_uniprot,target_species,ligand,ligand_id,ligand_species,ligand_pubchem_cid,smiles,inchi,inchikey,type,action,action_comment,endogenous,primary_target,concentration_range,affinity_parameter,affinity_high,affinity_median,affinity_low,original_affinity_units,original_affinity_low_nm,original_affinity_median_nm,original_affinity_high_nm,original_affinity_relation,assay_description,receptor_site,ligand_context,pubmed_id peptidyl arginine deiminase 4,2877,Q9UM07,Human,o-F-amidine,8625,,53393804,FCC(=N)NCCCC(C(=O)N)NC(=O)c1ccccc1C(=O)O,"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)",HBEIARVCIYYMOR-UHFFFAOYSA-N,Inhibitor,Irreversible inhibition,,,yes,,pIC50,,5.72,,IC50,,1900.0,,=,,,,21882827, peptidyl arginine deiminase 4,2877,,None,compound 3 [PMID: 24440480],8682,,21771691,NC1=CC(=O)c2c(C1=O)nc(cc2)c1ccccn1,"InChI=1S/C14H9N3O2/c15-9-7-12(18)8-4-5-11(17-13(8)14(9)19)10-3-1-2-6-16-10/h1-7H,15H2",UMMNKCUSQIKSGP-UHFFFAOYSA-N,Inhibitor,Irreversible inhibition,,,,,,,,,,,,,=,Kinact/KI = 5.7x103 M-1 min-1,,,24440480, peptidyl arginine deiminase 4,2877,,None,streptonigrin,8683,,5298,COC1=C(OC)C=C/C(=c\2/c(N)c([nH]c(c2C)C(=O)O)c2ccc3c(n2)C(=O)C(=C(C3=O)OC)N)/C1=O,"InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,29H,26-27H2,1-4H3,(H,33,34)/b14-10-",DLWOTOMWYCRPLK-UVTDQMKNSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,5.6,,IC50,,2500.0,,=,,,,20740228, peptidyl arginine deiminase 4,2877,Q9UM07,Human,compound 14b [PMID: 25742366],8684,,91827386,ClCC(NCCCC1NC(=O)N(C1O)Cc1cccc(c1)c1ccccc1Cl)N,"InChI=1S/C21H26Cl2N4O2/c22-12-19(24)25-10-4-9-18-20(28)27(21(29)26-18)13-14-5-3-6-15(11-14)16-7-1-2-8-17(16)23/h1-3,5-8,11,18-20,25,28H,4,9-10,12-13,24H2,(H,26,29)",TXEBWPPWSVMYOA-UHFFFAOYSA-N,Inhibitor,Irreversible inhibition,,,,,,,,,,,,,=,Kinact/KI = 1.46x103 M-1 min-1,,,25742366, peptidyl arginine deiminase 4,2877,Q9UM07,Human,Cl-amidine,8685,,24970878,ClCC(=N)NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1,"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",BPWATVWOHQZVRP-NSHDSACASA-N,Inhibitor,Inhibition,,,,,,,,,,,,,=,Kinact/KI = 1.77x103 M-1 min-1,,,25742366, peptidyl arginine deiminase 4,2877,Q9UM07,Human,JBI-589,12481,,138578805,CC1=C(N=C2C=C(C=CN12)C(=O)N3CCC[C@@H](N)C3)C4=CC5=CC=CC=C5N4CC6=CC=C(F)C=C6,"InChI=1S/C29H28FN5O/c1-19-28(32-27-16-22(12-14-34(19)27)29(36)33-13-4-6-24(31)18-33)26-15-21-5-2-3-7-25(21)35(26)17-20-8-10-23(30)11-9-20/h2-3,5,7-12,14-16,24H,4,6,13,17-18,31H2,1H3/t24-/m1/s1",DUVCPNSLXBKGOK-XMMPIXPASA-N,Inhibitor,Inhibition,,,,,pIC50,,6.91,,IC50,,122.0,,=,"Inhibition of PADI4 enzymatic activity in vitro, in a biochemical assay measuring ammonia release",,,36823444, peptidyl arginine deiminase 4,2877,Q9UM07,Human,JBI-589,12481,,138578805,CC1=C(N=C2C=C(C=CN12)C(=O)N3CCC[C@@H](N)C3)C4=CC5=CC=CC=C5N4CC6=CC=C(F)C=C6,"InChI=1S/C29H28FN5O/c1-19-28(32-27-16-22(12-14-34(19)27)29(36)33-13-4-6-24(31)18-33)26-15-21-5-2-3-7-25(21)35(26)17-20-8-10-23(30)11-9-20/h2-3,5,7-12,14-16,24H,4,6,13,17-18,31H2,1H3/t24-/m1/s1",DUVCPNSLXBKGOK-XMMPIXPASA-N,Inhibitor,Inhibition,,,,,pIC50,7.0,,6.0,IC50,1000.0,,100.0,=,Measuring inhibition of histone citrullination in neutrophils,,,,