Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'jamali' and Initial = 'h'   

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
Cathepsin B (Homo sapiens (Human))	BDBM50069985 ((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Whitman College Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using Cbz-RR-AMC as substrate by fluorometric assay				ACS Med Chem Lett 7: 250-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00401 BindingDB Entry DOI: 10.7270/Q2222WPD
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50069985 ((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	653	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Whitman College Curated by ChEMBL					Assay Description Inhibition of m-calpain (unknown origin) using Suc-LY-AMC as substrate by fluorometric assay				ACS Med Chem Lett 7: 250-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00401 BindingDB Entry DOI: 10.7270/Q2222WPD
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50169089 (CHEMBL3804980) Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C=O)cc1 |r| Show InChI InChI=1S/C42H48N4O7/c1-29(2)23-34(27-47)43-39(48)36(24-30-13-7-4-8-14-30)44-40(49)37(26-32-19-21-35(52-3)22-20-32)45-41(50)38(25-31-15-9-5-10-16-31)46-42(51)53-28-33-17-11-6-12-18-33/h4-22,27,29,34,36-38H,23-26,28H2,1-3H3,(H,43,48)(H,44,49)(H,45,50)(H,46,51)/t34-,36-,37-,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Whitman College Curated by ChEMBL					Assay Description Inhibition of m-calpain (unknown origin) using Suc-LY-AMC as substrate by fluorometric assay				ACS Med Chem Lett 7: 250-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00401 BindingDB Entry DOI: 10.7270/Q2222WPD
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50169088 (CHEMBL3806032) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccc(Oc3cc(C[C@H](NC(=O)OCc4ccccc4)C(=O)N[C@@H](CC(C)C)C(=O)N1)ccc3[N+]([O-])=O)cc2)C=O |r| Show InChI InChI=1S/C38H45N5O9/c1-23(2)16-28(21-44)39-35(45)31-18-25-10-13-29(14-11-25)52-34-20-27(12-15-33(34)43(49)50)19-32(37(47)40-30(17-24(3)4)36(46)41-31)42-38(48)51-22-26-8-6-5-7-9-26/h5-15,20-21,23-24,28,30-32H,16-19,22H2,1-4H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)/t28-,30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Whitman College Curated by ChEMBL					Assay Description Inhibition of m-calpain (unknown origin) using Suc-LY-AMC as substrate by fluorometric assay				ACS Med Chem Lett 7: 250-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00401 BindingDB Entry DOI: 10.7270/Q2222WPD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50169089 (CHEMBL3804980) Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C=O)cc1 |r| Show InChI InChI=1S/C42H48N4O7/c1-29(2)23-34(27-47)43-39(48)36(24-30-13-7-4-8-14-30)44-40(49)37(26-32-19-21-35(52-3)22-20-32)45-41(50)38(25-31-15-9-5-10-16-31)46-42(51)53-28-33-17-11-6-12-18-33/h4-22,27,29,34,36-38H,23-26,28H2,1-3H3,(H,43,48)(H,44,49)(H,45,50)(H,46,51)/t34-,36-,37-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Whitman College Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using Cbz-RR-AMC as substrate by fluorometric assay				ACS Med Chem Lett 7: 250-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00401 BindingDB Entry DOI: 10.7270/Q2222WPD
					More data for this Ligand-Target Pair
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50169087 (CHEMBL3805992) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(c(Oc4ccc(C[C@H](NC2=O)C(=O)N[C@@H](CC(C)C)C=O)cc4)c3)[N+]([O-])=O)NC(=O)OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C42H45N5O10/c1-26(2)19-31(24-48)43-39(49)34-20-28-11-16-33(17-12-28)57-38-23-30(13-18-37(38)47(53)54)22-36(46-42(52)56-25-29-7-5-4-6-8-29)41(51)45-35(40(50)44-34)21-27-9-14-32(55-3)15-10-27/h4-18,23-24,26,31,34-36H,19-22,25H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52)/t31-,34-,35-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Whitman College Curated by ChEMBL					Assay Description Inhibition of m-calpain (unknown origin) using Suc-LY-AMC as substrate by fluorometric assay				ACS Med Chem Lett 7: 250-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00401 BindingDB Entry DOI: 10.7270/Q2222WPD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50169088 (CHEMBL3806032) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccc(Oc3cc(C[C@H](NC(=O)OCc4ccccc4)C(=O)N[C@@H](CC(C)C)C(=O)N1)ccc3[N+]([O-])=O)cc2)C=O |r| Show InChI InChI=1S/C38H45N5O9/c1-23(2)16-28(21-44)39-35(45)31-18-25-10-13-29(14-11-25)52-34-20-27(12-15-33(34)43(49)50)19-32(37(47)40-30(17-24(3)4)36(46)41-31)42-38(48)51-22-26-8-6-5-7-9-26/h5-15,20-21,23-24,28,30-32H,16-19,22H2,1-4H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)/t28-,30-,31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Whitman College Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using Cbz-RR-AMC as substrate by fluorometric assay				ACS Med Chem Lett 7: 250-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00401 BindingDB Entry DOI: 10.7270/Q2222WPD
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50169087 (CHEMBL3805992) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(c(Oc4ccc(C[C@H](NC2=O)C(=O)N[C@@H](CC(C)C)C=O)cc4)c3)[N+]([O-])=O)NC(=O)OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C42H45N5O10/c1-26(2)19-31(24-48)43-39(49)34-20-28-11-16-33(17-12-28)57-38-23-30(13-18-37(38)47(53)54)22-36(46-42(52)56-25-29-7-5-4-6-8-29)41(51)45-35(40(50)44-34)21-27-9-14-32(55-3)15-10-27/h4-18,23-24,26,31,34-36H,19-22,25H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52)/t31-,34-,35-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Whitman College Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using Cbz-RR-AMC as substrate by fluorometric assay				ACS Med Chem Lett 7: 250-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00401 BindingDB Entry DOI: 10.7270/Q2222WPD
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-3 (Homo sapiens (Human))	BDBM50535204 (CHEMBL4468883) Show SMILES ClCC(=N)NCCCc1ncc([nH]1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H21ClN4/c21-13-19(22)23-11-5-10-20-24-14-18(25-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-4,6-9,12,14H,5,10-11,13H2,(H2,22,23)(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD3 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in residual activity preincubated...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-3 (Homo sapiens (Human))	BDBM50535203 (CHEMBL4473416) Show SMILES ClCC(=N)NC\C=C\C(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H20ClN3O/c20-13-18(21)22-11-5-10-19(24)23-14-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-10,12H,11,13-14H2,(H2,21,22)(H,23,24)/b10-5+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD3 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in residual activity preincubated...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-3 (Homo sapiens (Human))	BDBM50535206 (CHEMBL4464539) Show SMILES ClCC(=N)NCCCC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H22ClN3O/c20-13-18(21)22-11-5-10-19(24)23-14-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-4,6-9,12H,5,10-11,13-14H2,(H2,21,22)(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD3 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in residual activity preincubated...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-3 (Homo sapiens (Human))	BDBM50535207 (CHEMBL4449566) Show SMILES ClCC(=N)NCCCc1nc(Cl)c([nH]1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H20Cl2N4/c21-13-17(23)24-11-5-10-18-25-19(20(22)26-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2,(H2,23,24)(H,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD3 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in residual activity preincubated...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50535207 (CHEMBL4449566) Show SMILES ClCC(=N)NCCCc1nc(Cl)c([nH]1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H20Cl2N4/c21-13-17(23)24-11-5-10-18-25-19(20(22)26-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2,(H2,23,24)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged PAD4 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in reduction in residual activity ...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-3 (Homo sapiens (Human))	BDBM50535208 (CHEMBL4547728) Show SMILES ClCC(=N)NCCCc1cn(nn1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H20ClN5/c20-13-19(21)22-11-5-9-17-14-25(24-23-17)18-10-4-8-16(12-18)15-6-2-1-3-7-15/h1-4,6-8,10,12,14H,5,9,11,13H2,(H2,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD3 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in residual activity preincubated...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-3 (Homo sapiens (Human))	BDBM50535205 (CHEMBL4461562) Show SMILES ClCC(=N)NCCNC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H21ClN4O/c19-12-17(20)21-9-10-22-18(24)23-13-14-5-4-8-16(11-14)15-6-2-1-3-7-15/h1-8,11H,9-10,12-13H2,(H2,20,21)(H2,22,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD3 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in residual activity preincubated...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Homo sapiens (Human))	BDBM50535207 (CHEMBL4449566) Show SMILES ClCC(=N)NCCCc1nc(Cl)c([nH]1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H20Cl2N4/c21-13-17(23)24-11-5-10-18-25-19(20(22)26-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2,(H2,23,24)(H,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD2 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50467964 (CHEMBL4290815) Show SMILES ClCC(=N)NCCCc1nn(CC2CCCC2)c2ccccc12 Show InChI InChI=1S/C18H25ClN4/c19-12-18(20)21-11-5-9-16-15-8-3-4-10-17(15)23(22-16)13-14-6-1-2-7-14/h3-4,8,10,14H,1-2,5-7,9,11-13H2,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) preincubated for 15 mins followed by BAEE addition measured after 15 mins by spectrophotometric method				ACS Med Chem Lett 9: 1013-1018 (2018) Article DOI: 10.1021/acsmedchemlett.8b00283 BindingDB Entry DOI: 10.7270/Q2JM2DB0
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Homo sapiens (Human))	BDBM50535203 (CHEMBL4473416) Show SMILES ClCC(=N)NC\C=C\C(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H20ClN3O/c20-13-18(21)22-11-5-10-19(24)23-14-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-10,12H,11,13-14H2,(H2,21,22)(H,23,24)/b10-5+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD2 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-3 (Homo sapiens (Human))	BDBM50535201 (CHEMBL4442207) Show SMILES ClCC(=N)NCCOC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H20ClN3O2/c19-12-17(20)21-9-10-24-18(23)22-13-14-5-4-8-16(11-14)15-6-2-1-3-7-15/h1-8,11H,9-10,12-13H2,(H2,20,21)(H,22,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD3 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in residual activity preincubated...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50467965 (CHEMBL4291238) Show SMILES ClCC(=N)NCCCc1cn(CC2CCCC2)c2ccccc12 Show InChI InChI=1S/C19H26ClN3/c20-12-19(21)22-11-5-8-16-14-23(13-15-6-1-2-7-15)18-10-4-3-9-17(16)18/h3-4,9-10,14-15H,1-2,5-8,11-13H2,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) preincubated for 15 mins followed by BAEE addition measured after 15 mins by spectrophotometric method				ACS Med Chem Lett 9: 1013-1018 (2018) Article DOI: 10.1021/acsmedchemlett.8b00283 BindingDB Entry DOI: 10.7270/Q2JM2DB0
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Homo sapiens (Human))	BDBM50535204 (CHEMBL4468883) Show SMILES ClCC(=N)NCCCc1ncc([nH]1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H21ClN4/c21-13-19(22)23-11-5-10-20-24-14-18(25-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-4,6-9,12,14H,5,10-11,13H2,(H2,22,23)(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD2 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50535208 (CHEMBL4547728) Show SMILES ClCC(=N)NCCCc1cn(nn1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H20ClN5/c20-13-19(21)22-11-5-9-17-14-25(24-23-17)18-10-4-8-16(12-18)15-6-2-1-3-7-15/h1-4,6-8,10,12,14H,5,9,11,13H2,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged PAD4 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in reduction in residual activity ...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50535204 (CHEMBL4468883) Show SMILES ClCC(=N)NCCCc1ncc([nH]1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H21ClN4/c21-13-19(22)23-11-5-10-20-24-14-18(25-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-4,6-9,12,14H,5,10-11,13H2,(H2,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged PAD4 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in reduction in residual activity ...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50467962 (CHEMBL4280594) Show SMILES ClCC(=N)NCCCc1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C20H22ClN3/c21-13-20(22)23-12-6-9-17-15-24(14-16-7-2-1-3-8-16)19-11-5-4-10-18(17)19/h1-5,7-8,10-11,15H,6,9,12-14H2,(H2,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) preincubated for 15 mins followed by BAEE addition measured after 15 mins by spectrophotometric method				ACS Med Chem Lett 9: 1013-1018 (2018) Article DOI: 10.1021/acsmedchemlett.8b00283 BindingDB Entry DOI: 10.7270/Q2JM2DB0
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50535204 (CHEMBL4468883) Show SMILES ClCC(=N)NCCCc1ncc([nH]1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H21ClN4/c21-13-19(22)23-11-5-10-20-24-14-18(25-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-4,6-9,12,14H,5,10-11,13H2,(H2,22,23)(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD1 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50467963 (CHEMBL4294641) Show SMILES CCn1cc(CCCNC(=N)CCl)c2ccccc12 Show InChI InChI=1S/C15H20ClN3/c1-2-19-11-12(6-5-9-18-15(17)10-16)13-7-3-4-8-14(13)19/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) preincubated for 15 mins followed by BAEE addition measured after 15 mins by spectrophotometric method				ACS Med Chem Lett 9: 1013-1018 (2018) Article DOI: 10.1021/acsmedchemlett.8b00283 BindingDB Entry DOI: 10.7270/Q2JM2DB0
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50535201 (CHEMBL4442207) Show SMILES ClCC(=N)NCCOC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H20ClN3O2/c19-12-17(20)21-9-10-24-18(23)22-13-14-5-4-8-16(11-14)15-6-2-1-3-7-15/h1-8,11H,9-10,12-13H2,(H2,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged PAD4 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in reduction in residual activity ...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50535206 (CHEMBL4464539) Show SMILES ClCC(=N)NCCCC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H22ClN3O/c20-13-18(21)22-11-5-10-19(24)23-14-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-4,6-9,12H,5,10-11,13-14H2,(H2,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged PAD4 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in reduction in residual activity ...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Homo sapiens (Human))	BDBM50535206 (CHEMBL4464539) Show SMILES ClCC(=N)NCCCC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H22ClN3O/c20-13-18(21)22-11-5-10-19(24)23-14-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-4,6-9,12H,5,10-11,13-14H2,(H2,21,22)(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD2 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50535205 (CHEMBL4461562) Show SMILES ClCC(=N)NCCNC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H21ClN4O/c19-12-17(20)21-9-10-22-18(24)23-13-14-5-4-8-16(11-14)15-6-2-1-3-7-15/h1-8,11H,9-10,12-13H2,(H2,20,21)(H2,22,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD1 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50535203 (CHEMBL4473416) Show SMILES ClCC(=N)NC\C=C\C(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H20ClN3O/c20-13-18(21)22-11-5-10-19(24)23-14-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-10,12H,11,13-14H2,(H2,21,22)(H,23,24)/b10-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged PAD4 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in reduction in residual activity ...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50535202 (CHEMBL4546087) Show SMILES ClCC(=N)NCC#CC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H18ClN3O/c20-13-18(21)22-11-5-10-19(24)23-14-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-4,6-9,12H,11,13-14H2,(H2,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged PAD4 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in reduction in residual activity ...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-3 (Homo sapiens (Human))	BDBM50535202 (CHEMBL4546087) Show SMILES ClCC(=N)NCC#CC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H18ClN3O/c20-13-18(21)22-11-5-10-19(24)23-14-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-4,6-9,12H,11,13-14H2,(H2,21,22)(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD3 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in residual activity preincubated...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50535206 (CHEMBL4464539) Show SMILES ClCC(=N)NCCCC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H22ClN3O/c20-13-18(21)22-11-5-10-19(24)23-14-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-4,6-9,12H,5,10-11,13-14H2,(H2,21,22)(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD1 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Homo sapiens (Human))	BDBM50535208 (CHEMBL4547728) Show SMILES ClCC(=N)NCCCc1cn(nn1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H20ClN5/c20-13-19(21)22-11-5-9-17-14-25(24-23-17)18-10-4-8-16(12-18)15-6-2-1-3-7-15/h1-4,6-8,10,12,14H,5,9,11,13H2,(H2,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD2 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50535203 (CHEMBL4473416) Show SMILES ClCC(=N)NC\C=C\C(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H20ClN3O/c20-13-18(21)22-11-5-10-19(24)23-14-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-10,12H,11,13-14H2,(H2,21,22)(H,23,24)/b10-5+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD1 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50535205 (CHEMBL4461562) Show SMILES ClCC(=N)NCCNC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H21ClN4O/c19-12-17(20)21-9-10-22-18(24)23-13-14-5-4-8-16(11-14)15-6-2-1-3-7-15/h1-8,11H,9-10,12-13H2,(H2,20,21)(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.29E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged PAD4 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in reduction in residual activity ...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Homo sapiens (Human))	BDBM50535205 (CHEMBL4461562) Show SMILES ClCC(=N)NCCNC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H21ClN4O/c19-12-17(20)21-9-10-22-18(24)23-13-14-5-4-8-16(11-14)15-6-2-1-3-7-15/h1-8,11H,9-10,12-13H2,(H2,20,21)(H2,22,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD2 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Homo sapiens (Human))	BDBM50535201 (CHEMBL4442207) Show SMILES ClCC(=N)NCCOC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H20ClN3O2/c19-12-17(20)21-9-10-24-18(23)22-13-14-5-4-8-16(11-14)15-6-2-1-3-7-15/h1-8,11H,9-10,12-13H2,(H2,20,21)(H,22,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.51E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD2 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Homo sapiens (Human))	BDBM50535202 (CHEMBL4546087) Show SMILES ClCC(=N)NCC#CC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H18ClN3O/c20-13-18(21)22-11-5-10-19(24)23-14-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-4,6-9,12H,11,13-14H2,(H2,21,22)(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD2 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50535207 (CHEMBL4449566) Show SMILES ClCC(=N)NCCCc1nc(Cl)c([nH]1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H20Cl2N4/c21-13-17(23)24-11-5-10-18-25-19(20(22)26-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2,(H2,23,24)(H,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.61E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD1 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50467966 (CHEMBL4284049) Show SMILES Cn1cc(CCCNC(=N)CCl)c2ccccc12 Show InChI InChI=1S/C14H18ClN3/c1-18-10-11(5-4-8-17-14(16)9-15)12-6-2-3-7-13(12)18/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin) preincubated for 15 mins followed by BAEE addition measured after 15 mins by spectrophotometric method				ACS Med Chem Lett 9: 1013-1018 (2018) Article DOI: 10.1021/acsmedchemlett.8b00283 BindingDB Entry DOI: 10.7270/Q2JM2DB0
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50535208 (CHEMBL4547728) Show SMILES ClCC(=N)NCCCc1cn(nn1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H20ClN5/c20-13-19(21)22-11-5-9-17-14-25(24-23-17)18-10-4-8-16(12-18)15-6-2-1-3-7-15/h1-4,6-8,10,12,14H,5,9,11,13H2,(H2,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.94E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD1 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50535202 (CHEMBL4546087) Show SMILES ClCC(=N)NCC#CC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H18ClN3O/c20-13-18(21)22-11-5-10-19(24)23-14-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-4,6-9,12H,11,13-14H2,(H2,21,22)(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD1 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50535201 (CHEMBL4442207) Show SMILES ClCC(=N)NCCOC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H20ClN3O2/c19-12-17(20)21-9-10-24-18(23)22-13-14-5-4-8-16(11-14)15-6-2-1-3-7-15/h1-8,11H,9-10,12-13H2,(H2,20,21)(H,22,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD1 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair