Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'liew' and Initial = 'ss'   

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
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502427 (CHEMBL4542517) Show SMILES CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C1(N)CC1 |r| Show InChI InChI=1S/C28H31ClN4O3/c1-3-14-36-27(35)33-13-12-32(17-18(33)2)26(34)20-6-9-22-23(29)16-24(31-25(22)15-20)19-4-7-21(8-5-19)28(30)10-11-28/h4-9,15-16,18H,3,10-14,17,30H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Irreversible inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 5 mins followed by substrate addition and measured...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502433 (CHEMBL4575866) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C(=O)NC Show InChI InChI=1S/C26H27ClN4O4/c1-3-14-35-26(34)31-12-10-30(11-13-31)25(33)19-8-9-20-21(27)16-22(29-23(20)15-19)17-4-6-18(7-5-17)24(32)28-2/h4-9,15-16H,3,10-14H2,1-2H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Irreversible inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 5 mins followed by substrate addition and measured...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502434 (CHEMBL4551647) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C24H24ClN3O3/c1-2-14-31-24(30)28-12-10-27(11-13-28)23(29)18-8-9-19-20(25)16-21(26-22(19)15-18)17-6-4-3-5-7-17/h3-9,15-16H,2,10-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Irreversible inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 5 mins followed by substrate addition and measured...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
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 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))	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 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 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 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))	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
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))	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))	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))	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))	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 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
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))	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 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))	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
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502427 (CHEMBL4542517) Show SMILES CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C1(N)CC1 |r| Show InChI InChI=1S/C28H31ClN4O3/c1-3-14-36-27(35)33-13-12-32(17-18(33)2)26(34)20-6-9-22-23(29)16-24(31-25(22)15-20)19-4-7-21(8-5-19)28(30)10-11-28/h4-9,15-16,18H,3,10-14,17,30H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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 Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					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
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
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
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502413 (CHEMBL4521324) Show SMILES CCCOC(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2c(Cl)c3CCC(CN)Cc3nc2c1 |r| Show InChI InChI=1S/C24H31ClN4O3/c1-3-10-32-24(31)28-8-9-29(15(2)14-28)23(30)17-5-7-19-21(12-17)27-20-11-16(13-26)4-6-18(20)22(19)25/h5,7,12,15-16H,3-4,6,8-11,13-14,26H2,1-2H3/t15-,16?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502429 (CHEMBL4475972) Show SMILES CCCOC(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 |r| Show InChI InChI=1S/C23H28ClN3O3/c1-3-12-30-23(29)26-10-11-27(15(2)14-26)22(28)16-8-9-18-20(13-16)25-19-7-5-4-6-17(19)21(18)24/h8-9,13,15H,3-7,10-12,14H2,1-2H3/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502416 (CHEMBL4472455) Show SMILES CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccccc1 |r| Show InChI InChI=1S/C25H26ClN3O3/c1-3-13-32-25(31)29-12-11-28(16-17(29)2)24(30)19-9-10-20-21(26)15-22(27-23(20)14-19)18-7-5-4-6-8-18/h4-10,14-15,17H,3,11-13,16H2,1-2H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					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
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502436 (CHEMBL4450314) Show SMILES CCCOC(=O)N1CCN([C@H](C)C1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 |r| Show InChI InChI=1S/C23H28ClN3O3/c1-3-12-30-23(29)26-10-11-27(15(2)14-26)22(28)16-8-9-18-20(13-16)25-19-7-5-4-6-17(19)21(18)24/h8-9,13,15H,3-7,10-12,14H2,1-2H3/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502433 (CHEMBL4575866) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C(=O)NC Show InChI InChI=1S/C26H27ClN4O4/c1-3-14-35-26(34)31-12-10-30(11-13-31)25(33)19-8-9-20-21(27)16-22(29-23(20)15-19)17-4-6-18(7-5-17)24(32)28-2/h4-9,15-16H,3,10-14H2,1-2H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502414 (CHEMBL4440399) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(OC)cc1 Show InChI InChI=1S/C25H26ClN3O4/c1-3-14-33-25(31)29-12-10-28(11-13-29)24(30)18-6-9-20-21(26)16-22(27-23(20)15-18)17-4-7-19(32-2)8-5-17/h4-9,15-16H,3,10-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502434 (CHEMBL4551647) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C24H24ClN3O3/c1-2-14-31-24(30)28-12-10-27(11-13-28)23(29)18-8-9-19-20(25)16-21(26-22(19)15-18)17-6-4-3-5-7-17/h3-9,15-16H,2,10-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502426 (CHEMBL4448008) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 Show InChI InChI=1S/C23H28ClN3O3/c1-2-3-14-30-23(29)27-12-10-26(11-13-27)22(28)16-8-9-18-20(15-16)25-19-7-5-4-6-17(19)21(18)24/h8-9,15H,2-7,10-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502438 (CHEMBL4530816) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 Show InChI InChI=1S/C22H26ClN3O3/c1-2-13-29-22(28)26-11-9-25(10-12-26)21(27)15-7-8-17-19(14-15)24-18-6-4-3-5-16(18)20(17)23/h7-8,14H,2-6,9-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502415 (CHEMBL4579512) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(C)cc1 Show InChI InChI=1S/C25H26ClN3O3/c1-3-14-32-25(31)29-12-10-28(11-13-29)24(30)19-8-9-20-21(26)16-22(27-23(20)15-19)18-6-4-17(2)5-7-18/h4-9,15-16H,3,10-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502428 (CHEMBL4584168) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCC(CN)Cc3nc2c1 Show InChI InChI=1S/C23H29ClN4O3/c1-2-11-31-23(30)28-9-7-27(8-10-28)22(29)16-4-6-18-20(13-16)26-19-12-15(14-25)3-5-17(19)21(18)24/h4,6,13,15H,2-3,5,7-12,14,25H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					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
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
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502418 (CHEMBL4532072) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCC(C)Cc3nc2c1 Show InChI InChI=1S/C23H28ClN3O3/c1-3-12-30-23(29)27-10-8-26(9-11-27)22(28)16-5-7-18-20(14-16)25-19-13-15(2)4-6-17(19)21(18)24/h5,7,14-15H,3-4,6,8-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502419 (CHEMBL4462956) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CC(CN)CCc3nc2c1 Show InChI InChI=1S/C23H29ClN4O3/c1-2-11-31-23(30)28-9-7-27(8-10-28)22(29)16-4-5-17-20(13-16)26-19-6-3-15(14-25)12-18(19)21(17)24/h4-5,13,15H,2-3,6-12,14,25H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair

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