Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'khan' and Initial = 'ha'   

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-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-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))	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-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))	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-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))	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-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