Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'jo' and Initial = 'ys'   

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
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470392 (CHEMBL4283208) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C28H31N9O3S/c1-3-29-27(38)33-23-9-20(26-32-22(14-41-26)15-4-5-15)21(11-30-23)19-8-16(25-34-35-28(39)40-25)10-31-24(19)37-17-6-7-18(37)13-36(2)12-17/h8-11,14-15,17-18H,3-7,12-13H2,1-2H3,(H,35,39)(H2,29,30,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470399 (CHEMBL4286573) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1CCC(N)CC1)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C24H24F3N9O3S/c1-2-29-22(37)33-18-8-15(21-32-17(11-40-21)24(25,26)27)16(10-30-18)14-7-12(20-34-35-23(38)39-20)9-31-19(14)36-5-3-13(28)4-6-36/h7-11,13H,2-6,28H2,1H3,(H,35,38)(H2,29,30,33,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286099 (N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...) Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 Show InChI InChI=1S/C15H21N5O2S/c1-3-23(21,22)20-8-12(15(9-20)5-6-15)19(2)14-11-4-7-16-13(11)17-10-18-14/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470397 (CHEMBL4294536) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1CCN(C)CC1 Show InChI InChI=1S/C25H25F3N8OS/c1-3-29-24(37)34-21-12-16(23-33-20(14-38-23)25(26,27)28)17(13-31-21)15-11-19-18(5-4-6-30-19)32-22(15)36-9-7-35(2)8-10-36/h4-6,11-14H,3,7-10H2,1-2H3,(H2,29,31,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470406 (CHEMBL4295081) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](N)C1)N2c1nc2cccnc2cc1-c1cnc(NC(=O)NCC)cc1-c1nc(cs1)C(F)(F)F |r| Show InChI InChI=1S/C27H27F3N8OS/c1-2-32-26(39)37-23-11-18(25-36-22(13-40-25)27(28,29)30)19(12-34-23)17-10-21-20(4-3-7-33-21)35-24(17)38-15-5-6-16(38)9-14(31)8-15/h3-4,7,10-16H,2,5-6,8-9,31H2,1H3,(H2,32,34,37,39)/t14-,15+,16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470392 (CHEMBL4283208) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C28H31N9O3S/c1-3-29-27(38)33-23-9-20(26-32-22(14-41-26)15-4-5-15)21(11-30-23)19-8-16(25-34-35-28(39)40-25)10-31-24(19)37-17-6-7-18(37)13-36(2)12-17/h8-11,14-15,17-18H,3-7,12-13H2,1-2H3,(H,35,39)(H2,29,30,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470393 (CHEMBL4291061) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](N)C1)N2c1ncc(cc1-c1cnc(NC(=O)NCC)cc1-c1nc(cs1)C(F)(F)F)-c1n[nH]c(=O)o1 |r| Show InChI InChI=1S/C26H26F3N9O3S/c1-2-31-24(39)35-20-8-17(23-34-19(11-42-23)26(27,28)29)18(10-32-20)16-5-12(22-36-37-25(40)41-22)9-33-21(16)38-14-3-4-15(38)7-13(30)6-14/h5,8-11,13-15H,2-4,6-7,30H2,1H3,(H,37,40)(H2,31,32,35,39)/t13-,14+,15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470403 (CHEMBL4294467) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C26H26F3N9O3S/c1-3-30-24(39)34-20-7-17(23-33-19(12-42-23)26(27,28)29)18(9-31-20)16-6-13(22-35-36-25(40)41-22)8-32-21(16)38-14-4-5-15(38)11-37(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H,36,40)(H2,30,31,34,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470400 (CHEMBL4289998) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1nnn[nH]1 Show InChI InChI=1S/C25H26F3N11OS/c1-3-29-24(40)33-20-7-17(23-32-19(12-41-23)25(26,27)28)18(9-30-20)16-6-13(21-34-36-37-35-21)8-31-22(16)39-14-4-5-15(39)11-38(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H2,29,30,33,40)(H,34,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470407 (CHEMBL4286625) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cnc2cccnc2c1 Show InChI InChI=1S/C20H15F3N6OS/c1-2-24-19(30)29-17-7-12(18-28-16(10-31-18)20(21,22)23)13(9-27-17)11-6-15-14(26-8-11)4-3-5-25-15/h3-10H,2H2,1H3,(H2,24,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470401 (CHEMBL4290062) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CC1CN(C)C2 Show InChI InChI=1S/C26H25F3N8OS/c1-3-30-25(38)35-22-9-17(24-34-21(13-39-24)26(27,28)29)18(10-32-22)16-8-20-19(5-4-6-31-20)33-23(16)37-14-7-15(37)12-36(2)11-14/h4-6,8-10,13-15H,3,7,11-12H2,1-2H3,(H2,30,32,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286098 ((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...) Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50006565 (CHEMBL3235085) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cncc(c1)C(O)=O Show InChI InChI=1S/C18H14F3N5O3S/c1-2-23-17(29)26-14-4-11(15-25-13(8-30-15)18(19,20)21)12(7-24-14)9-3-10(16(27)28)6-22-5-9/h3-8H,2H2,1H3,(H,27,28)(H2,23,24,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470394 (CHEMBL4281775) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)C(O)=O Show InChI InChI=1S/C25H26F3N7O3S/c1-3-29-24(38)33-20-7-17(22-32-19(12-39-22)25(26,27)28)18(9-30-20)16-6-13(23(36)37)8-31-21(16)35-14-4-5-15(35)11-34(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H,36,37)(H2,29,30,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470396 (CHEMBL4293447) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1CCC(N)CC1 Show InChI InChI=1S/C25H25F3N8OS/c1-2-30-24(37)35-21-11-16(23-34-20(13-38-23)25(26,27)28)17(12-32-21)15-10-19-18(4-3-7-31-19)33-22(15)36-8-5-14(29)6-9-36/h3-4,7,10-14H,2,5-6,8-9,29H2,1H3,(H2,30,32,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470403 (CHEMBL4294467) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C26H26F3N9O3S/c1-3-30-24(39)34-20-7-17(23-33-19(12-42-23)26(27,28)29)18(9-31-20)16-6-13(22-35-36-25(40)41-22)8-32-21(16)38-14-4-5-15(38)11-37(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H,36,40)(H2,30,31,34,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470404 (CHEMBL4279382) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2 Show InChI InChI=1S/C27H27F3N8OS/c1-3-31-26(39)36-23-10-18(25-35-22(14-40-25)27(28,29)30)19(11-33-23)17-9-21-20(5-4-8-32-21)34-24(17)38-15-6-7-16(38)13-37(2)12-15/h4-5,8-11,14-16H,3,6-7,12-13H2,1-2H3,(H2,31,33,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470395 (CHEMBL4279313) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)C(=O)NS(C)(=O)=O Show InChI InChI=1S/C26H29F3N8O4S2/c1-4-30-25(39)34-21-8-18(24-33-20(13-42-24)26(27,28)29)19(10-31-21)17-7-14(23(38)35-43(3,40)41)9-32-22(17)37-15-5-6-16(37)12-36(2)11-15/h7-10,13,15-16H,4-6,11-12H2,1-3H3,(H,35,38)(H2,30,31,34,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470394 (CHEMBL4281775) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)C(O)=O Show InChI InChI=1S/C25H26F3N7O3S/c1-3-29-24(38)33-20-7-17(22-32-19(12-39-22)25(26,27)28)18(9-30-20)16-6-13(23(36)37)8-31-21(16)35-14-4-5-15(35)11-34(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H,36,37)(H2,29,30,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470402 (CHEMBL4278317) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1CC2CCC1CN2 Show InChI InChI=1S/C26H25F3N8OS/c1-2-30-25(38)36-22-9-17(24-35-21(13-39-24)26(27,28)29)18(11-33-22)16-8-20-19(4-3-7-31-20)34-23(16)37-12-14-5-6-15(37)10-32-14/h3-4,7-9,11,13-15,32H,2,5-6,10,12H2,1H3,(H2,30,33,36,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286095 ((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470395 (CHEMBL4279313) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)C(=O)NS(C)(=O)=O Show InChI InChI=1S/C26H29F3N8O4S2/c1-4-30-25(39)34-21-8-18(24-33-20(13-42-24)26(27,28)29)19(10-31-21)17-7-14(23(38)35-43(3,40)41)9-32-22(17)37-15-5-6-16(37)12-36(2)11-15/h7-10,13,15-16H,4-6,11-12H2,1-3H3,(H,35,38)(H2,30,31,34,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470405 (CHEMBL4289650) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(ccc1N1C2CCC1CN(C)C2)C(O)=O Show InChI InChI=1S/C26H27F3N6O3S/c1-3-30-25(38)33-22-9-18(23-32-21(13-39-23)26(27,28)29)19(10-31-22)17-8-14(24(36)37)4-7-20(17)35-15-5-6-16(35)12-34(2)11-15/h4,7-10,13,15-16H,3,5-6,11-12H2,1-2H3,(H,36,37)(H2,30,31,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470400 (CHEMBL4289998) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1nnn[nH]1 Show InChI InChI=1S/C25H26F3N11OS/c1-3-29-24(40)33-20-7-17(23-32-19(12-41-23)25(26,27)28)18(9-30-20)16-6-13(21-34-36-37-35-21)8-31-22(16)39-14-4-5-15(39)11-38(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H2,29,30,33,40)(H,34,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470405 (CHEMBL4289650) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(ccc1N1C2CCC1CN(C)C2)C(O)=O Show InChI InChI=1S/C26H27F3N6O3S/c1-3-30-25(38)33-22-9-18(23-32-21(13-39-23)26(27,28)29)19(10-31-22)17-8-14(24(36)37)4-7-20(17)35-15-5-6-16(35)12-34(2)11-15/h4,7-10,13,15-16H,3,5-6,11-12H2,1-2H3,(H,36,37)(H2,30,31,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470393 (CHEMBL4291061) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](N)C1)N2c1ncc(cc1-c1cnc(NC(=O)NCC)cc1-c1nc(cs1)C(F)(F)F)-c1n[nH]c(=O)o1 |r| Show InChI InChI=1S/C26H26F3N9O3S/c1-2-31-24(39)35-20-8-17(23-34-19(11-42-23)26(27,28)29)18(10-32-20)16-5-12(22-36-37-25(40)41-22)9-33-21(16)38-14-3-4-15(38)7-13(30)6-14/h5,8-11,13-15H,2-4,6-7,30H2,1H3,(H,37,40)(H2,31,32,35,39)/t13-,14+,15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470404 (CHEMBL4279382) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2 Show InChI InChI=1S/C27H27F3N8OS/c1-3-31-26(39)36-23-10-18(25-35-22(14-40-25)27(28,29)30)19(11-33-23)17-9-21-20(5-4-8-32-21)34-24(17)38-15-6-7-16(38)13-37(2)12-15/h4-5,8-11,14-16H,3,6-7,12-13H2,1-2H3,(H2,31,33,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470398 (CHEMBL4286232) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1CC2CCCC(C1)N2 |THB:30:31:39:34.35.36| Show InChI InChI=1S/C27H27F3N8OS/c1-2-31-26(39)37-23-10-18(25-36-22(14-40-25)27(28,29)30)19(11-33-23)17-9-21-20(7-4-8-32-21)35-24(17)38-12-15-5-3-6-16(13-38)34-15/h4,7-11,14-16,34H,2-3,5-6,12-13H2,1H3,(H2,31,33,37,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470402 (CHEMBL4278317) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1CC2CCC1CN2 Show InChI InChI=1S/C26H25F3N8OS/c1-2-30-25(38)36-22-9-17(24-35-21(13-39-24)26(27,28)29)18(11-33-22)16-8-20-19(4-3-7-31-20)34-23(16)37-12-14-5-6-15(37)10-32-14/h3-4,7-9,11,13-15,32H,2,5-6,10,12H2,1H3,(H2,30,33,36,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470399 (CHEMBL4286573) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1CCC(N)CC1)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C24H24F3N9O3S/c1-2-29-22(37)33-18-8-15(21-32-17(11-40-21)24(25,26)27)16(10-30-18)14-7-12(20-34-35-23(38)39-20)9-31-19(14)36-5-3-13(28)4-6-36/h7-11,13H,2-6,28H2,1H3,(H,35,38)(H2,29,30,33,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470406 (CHEMBL4295081) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](N)C1)N2c1nc2cccnc2cc1-c1cnc(NC(=O)NCC)cc1-c1nc(cs1)C(F)(F)F |r| Show InChI InChI=1S/C27H27F3N8OS/c1-2-32-26(39)37-23-11-18(25-36-22(13-40-25)27(28,29)30)19(12-34-23)17-10-21-20(4-3-7-33-21)35-24(17)38-15-5-6-16(38)9-14(31)8-15/h3-4,7,10-16H,2,5-6,8-9,31H2,1H3,(H2,32,34,37,39)/t14-,15+,16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286098 ((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...) Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.7	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470398 (CHEMBL4286232) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1CC2CCCC(C1)N2 |THB:30:31:39:34.35.36| Show InChI InChI=1S/C27H27F3N8OS/c1-2-31-26(39)37-23-10-18(25-36-22(14-40-25)27(28,29)30)19(11-33-23)17-9-21-20(7-4-8-32-21)35-24(17)38-12-15-5-3-6-16(13-38)34-15/h4,7-11,14-16,34H,2-3,5-6,12-13H2,1H3,(H2,31,33,37,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286096 (3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...) Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29.3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286096 (3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...) Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40.4	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470396 (CHEMBL4293447) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1CCC(N)CC1 Show InChI InChI=1S/C25H25F3N8OS/c1-2-30-24(37)35-21-11-16(23-34-20(13-38-23)25(26,27)28)17(12-32-21)15-10-19-18(4-3-7-31-19)33-22(15)36-8-5-14(29)6-9-36/h3-4,7,10-14H,2,5-6,8-9,29H2,1H3,(H2,30,32,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286098 ((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...) Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58.6	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286098 ((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...) Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286096 (3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...) Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286099 (N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...) Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 Show InChI InChI=1S/C15H21N5O2S/c1-3-23(21,22)20-8-12(15(9-20)5-6-15)19(2)14-11-4-7-16-13(11)17-10-18-14/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,16,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470401 (CHEMBL4290062) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CC1CN(C)C2 Show InChI InChI=1S/C26H25F3N8OS/c1-3-30-25(38)35-22-9-17(24-34-21(13-39-24)26(27,28)29)18(10-32-22)16-8-20-19(5-4-6-31-20)33-23(16)37-14-7-15(37)12-36(2)11-14/h4-6,8-10,13-15H,3,7,11-12H2,1-2H3,(H2,30,32,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286095 ((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	252	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50470397 (CHEMBL4294536) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1CCN(C)CC1 Show InChI InChI=1S/C25H25F3N8OS/c1-3-29-24(37)34-21-12-16(23-33-20(14-38-23)25(26,27)28)17(13-31-21)15-11-19-18(5-4-6-30-19)32-22(15)36-9-7-35(2)8-10-36/h4-6,11-14H,3,7-10H2,1-2H3,(H2,29,31,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286095 ((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	412	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286099 (N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...) Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 Show InChI InChI=1S/C15H21N5O2S/c1-3-23(21,22)20-8-12(15(9-20)5-6-15)19(2)14-11-4-7-16-13(11)17-10-18-14/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	422	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286096 (3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...) Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	694	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit B (Escherichia coli (strain K12))	BDBM50006565 (CHEMBL3235085) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cncc(c1)C(O)=O Show InChI InChI=1S/C18H14F3N5O3S/c1-2-23-17(29)26-14-4-11(15-25-13(8-30-15)18(19,20)21)12(7-24-14)9-3-10(16(27)28)6-22-5-9/h3-8H,2H2,1H3,(H,27,28)(H2,23,24,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ParE				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286097 ((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	787	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286097 ((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286097 ((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair

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