Compile Data Set for Download or QSAR

Found 384 hits with Last Name = 'dunn' and Initial = 's'   

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-2 (Mus musculus)	BDBM50248829 (CHEMBL4084229) Show SMILES CC1(C)NC(=O)N(CCc2nnn[nH]2)C1=O Show InChI InChI=1S/C8H12N6O2/c1-8(2)6(15)14(7(16)9-8)4-3-5-10-12-13-11-5/h3-4H2,1-2H3,(H,9,16)(H,10,11,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of full length recombinant mouse N-terminal GST-tagged PAD2 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethyl ester...				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50248829 (CHEMBL4084229) Show SMILES CC1(C)NC(=O)N(CCc2nnn[nH]2)C1=O Show InChI InChI=1S/C8H12N6O2/c1-8(2)6(15)14(7(16)9-8)4-3-5-10-12-13-11-5/h3-4H2,1-2H3,(H,9,16)(H,10,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PAD4 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethylester ...				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Mus musculus)	BDBM454169 (BDBM50246180 | US10716791, Code KP-302) Show SMILES Cn1cccc1C(=O)N[C@@H](CCn1ccnc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C20H23N5O2/c1-24-11-5-8-18(24)20(27)23-17(9-12-25-13-10-21-15-25)19(26)22-14-16-6-3-2-4-7-16/h2-8,10-11,13,15,17H,9,12,14H2,1H3,(H,22,26)(H,23,27)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50246191 (CHEMBL4089260) Show SMILES Cn1cccc1C(=O)N[C@@H](CCn1ccnn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C19H22N6O2/c1-24-11-5-8-17(24)19(27)22-16(9-12-25-13-10-21-23-25)18(26)20-14-15-6-3-2-4-7-15/h2-8,10-11,13,16H,9,12,14H2,1H3,(H,20,26)(H,22,27)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Mus musculus)	BDBM50246191 (CHEMBL4089260) Show SMILES Cn1cccc1C(=O)N[C@@H](CCn1ccnn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C19H22N6O2/c1-24-11-5-8-17(24)19(27)22-16(9-12-25-13-10-21-23-25)18(26)20-14-15-6-3-2-4-7-15/h2-8,10-11,13,16H,9,12,14H2,1H3,(H,20,26)(H,22,27)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454162 (BDBM50246174 | US10716791, Code KP-286) Show SMILES CC(C)NC(=O)[C@H](CCn1ccnc1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C15H20N4O3/c1-11(2)17-14(20)12(5-7-19-8-6-16-10-19)18-15(21)13-4-3-9-22-13/h3-4,6,8-12H,5,7H2,1-2H3,(H,17,20)(H,18,21)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50246191 (CHEMBL4089260) Show SMILES Cn1cccc1C(=O)N[C@@H](CCn1ccnn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C19H22N6O2/c1-24-11-5-8-17(24)19(27)22-16(9-12-25-13-10-21-23-25)18(26)20-14-15-6-3-2-4-7-15/h2-8,10-11,13,16H,9,12,14H2,1H3,(H,20,26)(H,22,27)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD1 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM454169 (BDBM50246180 | US10716791, Code KP-302) Show SMILES Cn1cccc1C(=O)N[C@@H](CCn1ccnc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C20H23N5O2/c1-24-11-5-8-18(24)20(27)23-17(9-12-25-13-10-21-15-25)19(26)22-14-16-6-3-2-4-7-16/h2-8,10-11,13,15,17H,9,12,14H2,1H3,(H,22,26)(H,23,27)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.55E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD1 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Mus musculus)	BDBM50426302 (CHEMBL2312698) Show SMILES CC1(C)NC(=O)N(CN2CCNCC2)C1=O Show InChI InChI=1S/C10H18N4O2/c1-10(2)8(15)14(9(16)12-10)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3,(H,12,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.79E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of full length recombinant mouse N-terminal GST-tagged PAD2 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethyl ester...				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454169 (BDBM50246180 | US10716791, Code KP-302) Show SMILES Cn1cccc1C(=O)N[C@@H](CCn1ccnc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C20H23N5O2/c1-24-11-5-8-18(24)20(27)23-17(9-12-25-13-10-21-15-25)19(26)22-14-16-6-3-2-4-7-16/h2-8,10-11,13,15,17H,9,12,14H2,1H3,(H,22,26)(H,23,27)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50426302 (CHEMBL2312698) Show SMILES CC1(C)NC(=O)N(CN2CCNCC2)C1=O Show InChI InChI=1S/C10H18N4O2/c1-10(2)8(15)14(9(16)12-10)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3,(H,12,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.83E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PAD4 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethylester ...				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Mus musculus)	BDBM50246193 (CHEMBL4061099) Show SMILES O=C(NCc1ccccc1)[C@H](CCn1ccnn1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C18H19N5O3/c24-17(19-13-14-5-2-1-3-6-14)15(8-10-23-11-9-20-22-23)21-18(25)16-7-4-12-26-16/h1-7,9,11-12,15H,8,10,13H2,(H,19,24)(H,21,25)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.82E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM454164 (BDBM50246192 | US10716791, Code KP-288) Show SMILES CC(C)NC(=O)[C@H](CCn1cnc(CC#N)c1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C17H21N5O3/c1-12(2)20-16(23)14(21-17(24)15-4-3-9-25-15)6-8-22-10-13(5-7-18)19-11-22/h3-4,9-12,14H,5-6,8H2,1-2H3,(H,20,23)(H,21,24)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.53E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD1 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50248829 (CHEMBL4084229) Show SMILES CC1(C)NC(=O)N(CCc2nnn[nH]2)C1=O Show InChI InChI=1S/C8H12N6O2/c1-8(2)6(15)14(7(16)9-8)4-3-5-10-12-13-11-5/h3-4H2,1-2H3,(H,9,16)(H,10,11,12,13)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.84E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of human PAD1 using BAEE as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by colorimetric assay				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50426302 (CHEMBL2312698) Show SMILES CC1(C)NC(=O)N(CN2CCNCC2)C1=O Show InChI InChI=1S/C10H18N4O2/c1-10(2)8(15)14(9(16)12-10)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3,(H,12,16)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	4.45E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of human PAD1 using BAEE as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by colorimetric assay				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454165 (BDBM50246195 | US10716791, Code KP-289) Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C17H28N4O3/c1-13(2)18-16(22)14(19-17(23)15-5-4-12-24-15)6-7-21-10-8-20(3)9-11-21/h4-5,12-14H,6-11H2,1-3H3,(H,18,22)(H,19,23)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.88E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Mus musculus)	BDBM454162 (BDBM50246174 | US10716791, Code KP-286) Show SMILES CC(C)NC(=O)[C@H](CCn1ccnc1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C15H20N4O3/c1-11(2)17-14(20)12(5-7-19-8-6-16-10-19)18-15(21)13-4-3-9-22-13/h3-4,6,8-12H,5,7H2,1-2H3,(H,17,20)(H,18,21)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.54E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454164 (BDBM50246192 | US10716791, Code KP-288) Show SMILES CC(C)NC(=O)[C@H](CCn1cnc(CC#N)c1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C17H21N5O3/c1-12(2)20-16(23)14(21-17(24)15-4-3-9-25-15)6-8-22-10-13(5-7-18)19-11-22/h3-4,9-12,14H,5-6,8H2,1-2H3,(H,20,23)(H,21,24)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.91E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50248824 (CHEMBL4059499) Show SMILES CC1(C)NC(=O)N(CCN2CCOCC2)C1=O Show InChI InChI=1S/C11H19N3O3/c1-11(2)9(15)14(10(16)12-11)4-3-13-5-7-17-8-6-13/h3-8H2,1-2H3,(H,12,16)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	6.02E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of human PAD1 using BAEE as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by colorimetric assay				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50248830 (CHEMBL4089583) Show SMILES CC1(C)NC(=O)N(CCn2ccnc2)C1=O Show InChI InChI=1S/C10H14N4O2/c1-10(2)8(15)14(9(16)12-10)6-5-13-4-3-11-7-13/h3-4,7H,5-6H2,1-2H3,(H,12,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	6.32E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PAD4 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethylester ...				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Mus musculus)	BDBM50248832 (CHEMBL4084379) Show SMILES CC1(C)NC(=O)N(CCN2CCNCC2)C1=O Show InChI InChI=1S/C11H20N4O2/c1-11(2)9(16)15(10(17)13-11)8-7-14-5-3-12-4-6-14/h12H,3-8H2,1-2H3,(H,13,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	7.14E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of full length recombinant mouse N-terminal GST-tagged PAD2 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethyl ester...				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM454162 (BDBM50246174 | US10716791, Code KP-286) Show SMILES CC(C)NC(=O)[C@H](CCn1ccnc1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C15H20N4O3/c1-11(2)17-14(20)12(5-7-19-8-6-16-10-19)18-15(21)13-4-3-9-22-13/h3-4,6,8-12H,5,7H2,1-2H3,(H,17,20)(H,18,21)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.64E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD1 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Mus musculus)	BDBM454164 (BDBM50246192 | US10716791, Code KP-288) Show SMILES CC(C)NC(=O)[C@H](CCn1cnc(CC#N)c1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C17H21N5O3/c1-12(2)20-16(23)14(21-17(24)15-4-3-9-25-15)6-8-22-10-13(5-7-18)19-11-22/h3-4,9-12,14H,5-6,8H2,1-2H3,(H,20,23)(H,21,24)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50246193 (CHEMBL4061099) Show SMILES O=C(NCc1ccccc1)[C@H](CCn1ccnn1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C18H19N5O3/c24-17(19-13-14-5-2-1-3-6-14)15(8-10-23-11-9-20-22-23)21-18(25)16-7-4-12-26-16/h1-7,9,11-12,15H,8,10,13H2,(H,19,24)(H,21,25)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.09E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD1 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50248824 (CHEMBL4059499) Show SMILES CC1(C)NC(=O)N(CCN2CCOCC2)C1=O Show InChI InChI=1S/C11H19N3O3/c1-11(2)9(15)14(10(16)12-11)4-3-13-5-7-17-8-6-13/h3-8H2,1-2H3,(H,12,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.43E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PAD4 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethylester ...				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Mus musculus)	BDBM454165 (BDBM50246195 | US10716791, Code KP-289) Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C17H28N4O3/c1-13(2)18-16(22)14(19-17(23)15-5-4-12-24-15)6-7-21-10-8-20(3)9-11-21/h4-5,12-14H,6-11H2,1-3H3,(H,18,22)(H,19,23)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.84E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50248814 (CHEMBL4070114) Show SMILES Cc1nccn1CCN1C(=O)NC(C)(C)C1=O Show InChI InChI=1S/C11H16N4O2/c1-8-12-4-5-14(8)6-7-15-9(16)11(2,3)13-10(15)17/h4-5H,6-7H2,1-3H3,(H,13,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.42E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of human PAD1 using BAEE as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by colorimetric assay				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50246193 (CHEMBL4061099) Show SMILES O=C(NCc1ccccc1)[C@H](CCn1ccnn1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C18H19N5O3/c24-17(19-13-14-5-2-1-3-6-14)15(8-10-23-11-9-20-22-23)21-18(25)16-7-4-12-26-16/h1-7,9,11-12,15H,8,10,13H2,(H,19,24)(H,21,25)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.82E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Mus musculus)	BDBM50248830 (CHEMBL4089583) Show SMILES CC1(C)NC(=O)N(CCn2ccnc2)C1=O Show InChI InChI=1S/C10H14N4O2/c1-10(2)8(15)14(9(16)12-10)6-5-13-4-3-11-7-13/h3-4,7H,5-6H2,1-2H3,(H,12,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.62E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of full length recombinant mouse N-terminal GST-tagged PAD2 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethyl ester...				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50248831 (CHEMBL4102346) Show SMILES CC1(C)NC(=O)N(CCN2CCCC2)C1=O Show InChI InChI=1S/C11H19N3O2/c1-11(2)9(15)14(10(16)12-11)8-7-13-5-3-4-6-13/h3-8H2,1-2H3,(H,12,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.64E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PAD4 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethylester ...				Bioorg Med Chem 25: 2643-2656 (2017) Article DOI: 10.1016/j.bmc.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HM5BW5
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Mus musculus)	BDBM454163 (BDBM50246172 | US10716791, Code KP-287) Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C17H33N5O3/c1-14(2)18-16(23)15(4-5-21-8-6-20(3)7-9-21)19-17(24)22-10-12-25-13-11-22/h14-15H,4-13H2,1-3H3,(H,18,23)(H,19,24)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50246194 (CHEMBL4062179 | US10716791, Example KP-316) Show SMILES Fc1ccc(cc1)C(=O)N[C@@H](CCn1ccnn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-17-8-6-16(7-9-17)19(27)24-18(10-12-26-13-11-23-25-26)20(28)22-14-15-4-2-1-3-5-15/h1-9,11,13,18H,10,12,14H2,(H,22,28)(H,24,27)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD1 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM50246179 (CHEMBL4081389) Show SMILES O=C(NCc1ccccc1)[C@H](CCn1ccnc1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C19H20N4O3/c24-18(21-13-15-5-2-1-3-6-15)16(8-10-23-11-9-20-14-23)22-19(25)17-7-4-12-26-17/h1-7,9,11-12,14,16H,8,10,13H2,(H,21,24)(H,22,25)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD1 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Mus musculus)	BDBM50246179 (CHEMBL4081389) Show SMILES O=C(NCc1ccccc1)[C@H](CCn1ccnc1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C19H20N4O3/c24-18(21-13-15-5-2-1-3-6-15)16(8-10-23-11-9-20-14-23)22-19(25)17-7-4-12-26-17/h1-7,9,11-12,14,16H,8,10,13H2,(H,21,24)(H,22,25)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-2 (Mus musculus)	BDBM50246173 (CHEMBL4082498) Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C19H36N4O2/c1-15(2)20-19(25)17(9-10-23-13-11-22(3)12-14-23)21-18(24)16-7-5-4-6-8-16/h15-17H,4-14H2,1-3H3,(H,20,25)(H,21,24)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50246179 (CHEMBL4081389) Show SMILES O=C(NCc1ccccc1)[C@H](CCn1ccnc1)NC(=O)c1ccco1 |r| Show InChI InChI=1S/C19H20N4O3/c24-18(21-13-15-5-2-1-3-6-15)16(8-10-23-11-9-20-14-23)22-19(25)17-7-4-12-26-17/h1-7,9,11-12,14,16H,8,10,13H2,(H,21,24)(H,22,25)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50246173 (CHEMBL4082498) Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C19H36N4O2/c1-15(2)20-19(25)17(9-10-23-13-11-22(3)12-14-23)21-18(24)16-7-5-4-6-8-16/h15-17H,4-14H2,1-3H3,(H,20,25)(H,21,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM454163 (BDBM50246172 | US10716791, Code KP-287) Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C17H33N5O3/c1-14(2)18-16(23)15(4-5-21-8-6-20(3)7-9-21)19-17(24)22-10-12-25-13-11-22/h14-15H,4-13H2,1-3H3,(H,18,23)(H,19,24)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-1 (Homo sapiens (Human))	BDBM454163 (BDBM50246172 | US10716791, Code KP-287) Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C17H33N5O3/c1-14(2)18-16(23)15(4-5-21-8-6-20(3)7-9-21)19-17(24)22-10-12-25-13-11-22/h14-15H,4-13H2,1-3H3,(H,18,23)(H,19,24)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD1 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-6 (Homo sapiens (Human))	BDBM286091 ((R)¿N-(1-(4-aminobenzyl)-1H-pyrazol-4-yl)-9-methyl...) Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccc(N)cc2)c1 |r| Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)22-11-18-7-10-21(32-23(18)34(16)22)24(35)30-20-13-29-33(15-20)14-17-5-8-19(9-6-17)31-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,35)(H,31,37)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
PHOENIX MOLECULAR DESIGNS US Patent					Assay Description Radioisotope assays were performed for the evaluation of the kinase target profiling and all assays were performed in a designated radioactive workin...				US Patent US10758530 (2020) BindingDB Entry DOI: 10.7270/Q20R9SGD
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-6 (Homo sapiens (Human))	BDBM286091 ((R)¿N-(1-(4-aminobenzyl)-1H-pyrazol-4-yl)-9-methyl...) Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccc(N)cc2)c1 |r| Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)22-11-18-7-10-21(32-23(18)34(16)22)24(35)30-20-13-29-33(15-20)14-17-5-8-19(9-6-17)31-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,35)(H,31,37)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
PHOENIX MOLECULAR DESIGN US Patent					Assay Description Radioisotope assays (SignalChem) were performed for the evaluation of the kinase target profiling and all assays were performed in a designated radio...				US Patent US9771366 (2017) BindingDB Entry DOI: 10.7270/Q2862JK5
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM286091 ((R)¿N-(1-(4-aminobenzyl)-1H-pyrazol-4-yl)-9-methyl...) Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccc(N)cc2)c1 |r| Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)22-11-18-7-10-21(32-23(18)34(16)22)24(35)30-20-13-29-33(15-20)14-17-5-8-19(9-6-17)31-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,35)(H,31,37)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
PHOENIX MOLECULAR DESIGN US Patent					Assay Description Radioisotope assays (SignalChem) were performed for the evaluation of the kinase target profiling and all assays were performed in a designated radio...				US Patent US9771366 (2017) BindingDB Entry DOI: 10.7270/Q2862JK5
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM286091 ((R)¿N-(1-(4-aminobenzyl)-1H-pyrazol-4-yl)-9-methyl...) Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccc(N)cc2)c1 |r| Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)22-11-18-7-10-21(32-23(18)34(16)22)24(35)30-20-13-29-33(15-20)14-17-5-8-19(9-6-17)31-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,35)(H,31,37)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
PHOENIX MOLECULAR DESIGNS US Patent					Assay Description Radioisotope assays were performed for the evaluation of the kinase target profiling and all assays were performed in a designated radioactive workin...				US Patent US10758530 (2020) BindingDB Entry DOI: 10.7270/Q20R9SGD
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM286091 ((R)¿N-(1-(4-aminobenzyl)-1H-pyrazol-4-yl)-9-methyl...) Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccc(N)cc2)c1 |r| Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)22-11-18-7-10-21(32-23(18)34(16)22)24(35)30-20-13-29-33(15-20)14-17-5-8-19(9-6-17)31-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,35)(H,31,37)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
PHOENIX MOLECULAR DESIGN US Patent					Assay Description Radioisotope assays (SignalChem) were performed for the evaluation of the kinase target profiling and all assays were performed in a designated radio...				US Patent US9771366 (2017) BindingDB Entry DOI: 10.7270/Q2862JK5
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM286091 ((R)¿N-(1-(4-aminobenzyl)-1H-pyrazol-4-yl)-9-methyl...) Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccc(N)cc2)c1 |r| Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)22-11-18-7-10-21(32-23(18)34(16)22)24(35)30-20-13-29-33(15-20)14-17-5-8-19(9-6-17)31-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,35)(H,31,37)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
PHOENIX MOLECULAR DESIGNS US Patent					Assay Description Radioisotope assays were performed for the evaluation of the kinase target profiling and all assays were performed in a designated radioactive workin...				US Patent US10758530 (2020) BindingDB Entry DOI: 10.7270/Q20R9SGD
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50317833 (3-methyl 5-(3-phenylbutyl)2,6-dimethyl-4-(3-nitrop...) Show SMILES COC(=O)C1C(C(C(=O)OCCC(C)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20| Show InChI InChI=1S/C26H28N2O6/c1-16(19-9-6-5-7-10-19)13-14-34-26(30)23-18(3)27-17(2)22(25(29)33-4)24(23)20-11-8-12-21(15-20)28(31)32/h5-12,15-16,22,24H,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...				Bioorg Med Chem 18: 3147-58 (2010) Article DOI: 10.1016/j.bmc.2010.03.038 BindingDB Entry DOI: 10.7270/Q2F47P90
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM458758 ((R)-1-benzyl-N-(9-methyl-6-oxo-6,7,8,9-tetrahydrop...) Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)nc3n12 |r| Show InChI InChI=1S/C22H20N6O2/c1-14-10-23-22(30)18-9-16-7-8-19(25-20(16)28(14)18)26-21(29)17-11-24-27(13-17)12-15-5-3-2-4-6-15/h2-9,11,13-14H,10,12H2,1H3,(H,23,30)(H,25,26,29)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
PHOENIX MOLECULAR DESIGNS US Patent					Assay Description Radioisotope assays were performed for the evaluation of the kinase target profiling and all assays were performed in a designated radioactive workin...				US Patent US10758530 (2020) BindingDB Entry DOI: 10.7270/Q20R9SGD
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM342166 ((R)-1-benzyl-N-(9-methyl-6-oxo-6,7,8,9-tetrahydrop...) Show SMILES C[C@@H]1CNC(=O)c2cc3cc(NC(=O)c4cnn(Cc5ccccc5)c4)ccc3n12 |r| Show InChI InChI=1S/C23H21N5O2/c1-15-11-24-23(30)21-10-17-9-19(7-8-20(17)28(15)21)26-22(29)18-12-25-27(14-18)13-16-5-3-2-4-6-16/h2-10,12,14-15H,11,13H2,1H3,(H,24,30)(H,26,29)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
PHOENIX MOLECULAR DESIGN US Patent					Assay Description Radioisotope assays (SignalChem) were performed for the evaluation of the kinase target profiling and all assays were performed in a designated radio...				US Patent US9771366 (2017) BindingDB Entry DOI: 10.7270/Q2862JK5
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Oryctolagus cuniculus)	BDBM50317821 (3-(3,4-difluorobenzyl)5-methyl 2,6-dimethyl-4-(3-n...) Show SMILES COC(=O)C1C(C(C(=O)OCc2ccc(F)c(F)c2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:22,t:19| Show InChI InChI=1S/C23H20F2N2O6/c1-12-19(22(28)32-3)21(15-5-4-6-16(10-15)27(30)31)20(13(2)26-12)23(29)33-11-14-7-8-17(24)18(25)9-14/h4-10,19,21H,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...				Bioorg Med Chem 18: 3147-58 (2010) Article DOI: 10.1016/j.bmc.2010.03.038 BindingDB Entry DOI: 10.7270/Q2F47P90
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-6 (Homo sapiens (Human))	BDBM342166 ((R)-1-benzyl-N-(9-methyl-6-oxo-6,7,8,9-tetrahydrop...) Show SMILES C[C@@H]1CNC(=O)c2cc3cc(NC(=O)c4cnn(Cc5ccccc5)c4)ccc3n12 |r| Show InChI InChI=1S/C23H21N5O2/c1-15-11-24-23(30)21-10-17-9-19(7-8-20(17)28(15)21)26-22(29)18-12-25-27(14-18)13-16-5-3-2-4-6-16/h2-10,12,14-15H,11,13H2,1H3,(H,24,30)(H,26,29)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
PHOENIX MOLECULAR DESIGN US Patent					Assay Description Radioisotope assays (SignalChem) were performed for the evaluation of the kinase target profiling and all assays were performed in a designated radio...				US Patent US9771366 (2017) BindingDB Entry DOI: 10.7270/Q2862JK5
					More data for this Ligand-Target Pair

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