Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'garcia' and Initial = 'ga'   

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
Queuine tRNA-ribosyltransferase (Zymomonas mobilis)	BDBM50125769 (2,6-Diamino-8-phenylsulfanylmethyl-3H-quinazolin-4...) Show SMILES Nc1cc(CSc2ccccc2)c2nc(N)[nH]c(=O)c2c1 Show InChI InChI=1S/C15H14N4OS/c16-10-6-9(8-21-11-4-2-1-3-5-11)13-12(7-10)14(20)19-15(17)18-13/h1-7H,8,16H2,(H3,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair
Queuine tRNA-ribosyltransferase (Zymomonas mobilis)	BDBM50125773 (2-Amino-6-methyl-3H-pteridin-4-one | CHEMBL14913) Show SMILES Cc1cnc2nc(N)[nH]c(=O)c2n1 Show InChI InChI=1S/C7H7N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H,1H3,(H3,8,9,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair
Queuine tRNA-ribosyltransferase (Zymomonas mobilis)	BDBM50125771 (6-Amino-2,3-dihydro-benzo[g]phthalazine-1,4-dione ...) Show SMILES Nc1cccc2cc3c(cc12)c(=O)[nH][nH]c3=O Show InChI InChI=1S/C12H9N3O2/c13-10-3-1-2-6-4-8-9(5-7(6)10)12(17)15-14-11(8)16/h1-5H,13H2,(H,14,16)(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair
Queuine tRNA-ribosyltransferase (Zymomonas mobilis)	BDBM50125772 (2-amino-4-hydroxypteridine | 2-aminopteridin-4-ol ...) Show SMILES Nc1nc2nccnc2c(=O)[nH]1 Show InChI InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair
Queuine tRNA-ribosyltransferase (Zymomonas mobilis)	BDBM50125760 (2-Amino-8-(4-chloro-benzylsulfanyl)-1,9-dihydro-pu...) Show SMILES Nc1nc2nc(SCc3ccc(Cl)cc3)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C12H10ClN5OS/c13-7-3-1-6(2-4-7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair
Queuine tRNA-ribosyltransferase (Zymomonas mobilis)	BDBM50125766 (2-Amino-7-phenyl-3H-pteridin-4-one | CHEMBL277561) Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)-c1ccccc1 Show InChI InChI=1S/C12H9N5O/c13-12-16-10-9(11(18)17-12)14-6-8(15-10)7-4-2-1-3-5-7/h1-6H,(H3,13,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair
Queuine tRNA-ribosyltransferase (Zymomonas mobilis)	BDBM50125761 (3-Methyl-6,7-dihydro-4H-1-thia-4,6,7-triaza-cyclop...) Show SMILES Cc1csc2c(O)c3c(nc12)c(=O)[nH][nH]c3=O Show InChI InChI=1S/C10H7N3O3S/c1-3-2-17-8-5(3)11-6-4(7(8)14)9(15)12-13-10(6)16/h2H,1H3,(H,11,14)(H,12,15)(H,13,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair
Queuine tRNA-ribosyltransferase (Zymomonas mobilis)	BDBM50125768 (6,7-Dihydro-4H-1-thia-4,6,7-triaza-cyclopenta[b]na...) Show SMILES Oc1c2sccc2nc2c1c(=O)[nH][nH]c2=O Show InChI InChI=1S/C9H5N3O3S/c13-6-4-5(9(15)12-11-8(4)14)10-3-1-2-16-7(3)6/h1-2H,(H,10,13)(H,11,14)(H,12,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair
Queuine tRNA-ribosyltransferase (Zymomonas mobilis)	BDBM50125765 (3-Amino-6-hydroxy-2-(2-hydroxy-ethyl)-2,5-dihydro-...) Show SMILES Nc1n(CCO)[nH]c2cc(=O)[nH]c(=O)c12 Show InChI InChI=1S/C8H10N4O3/c9-7-6-4(11-12(7)1-2-13)3-5(14)10-8(6)15/h3,11,13H,1-2,9H2,(H,10,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair
Queuine tRNA-ribosyltransferase (Zymomonas mobilis)	BDBM50125767 (4-AMINOPHTHALHYDRAZIDE | 6-Amino-2,3-dihydro-phtha...) Show SMILES Nc1ccc2c(c1)c(=O)[nH][nH]c2=O Show InChI InChI=1S/C8H7N3O2/c9-4-1-2-5-6(3-4)8(13)11-10-7(5)12/h1-3H,9H2,(H,10,12)(H,11,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Queuine tRNA-ribosyltransferase (Zymomonas mobilis)	BDBM50125759 (5-Amino-2,3-dihydro-phthalazine-1,4-dione | CHEMBL...) Show SMILES Nc1cccc2c1c(=O)[nH][nH]c2=O Show InChI InChI=1S/C8H7N3O2/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12/h1-3H,9H2,(H,10,12)(H,11,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair
Queuine tRNA-ribosyltransferase (Zymomonas mobilis)	BDBM50125775 (2-Amino-8-piperidin-1-yl-1,9-dihydro-purin-6-one |...) Show SMILES Nc1nc2nc([nH]c2c(=O)[nH]1)N1CCCCC1 Show InChI InChI=1S/C10H14N6O/c11-9-13-7-6(8(17)15-9)12-10(14-7)16-4-2-1-3-5-16/h1-5H2,(H4,11,12,13,14,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair
Queuine tRNA-ribosyltransferase (Zymomonas mobilis)	BDBM50125774 (5-Fluoro-1H-indole-2-carboxylic acid hydrazide | C...) Show SMILES NNC(=O)c1cc2cc(F)ccc2[nH]1 Show InChI InChI=1S/C9H8FN3O/c10-6-1-2-7-5(3-6)4-8(12-7)9(14)13-11/h1-4,12H,11H2,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair
Queuine tRNA-ribosyltransferase (Zymomonas mobilis)	BDBM50125763 (2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,...) Show SMILES CCCCc1nc2c([nH]1)c(=O)[nH][nH]c2=O Show InChI InChI=1S/C9H12N4O2/c1-2-3-4-5-10-6-7(11-5)9(15)13-12-8(6)14/h2-4H2,1H3,(H,10,11)(H,12,14)(H,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	DrugBank PDB Article PubMed	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Queuine tRNA-ribosyltransferase (Zymomonas mobilis)	BDBM50125770 (6-Methyl-2H-pyrazolo[3,4-b]quinolin-3-ylamine | CH...) Show SMILES Cc1ccc2nc3[nH]nc(N)c3cc2c1 Show InChI InChI=1S/C11H10N4/c1-6-2-3-9-7(4-6)5-8-10(12)14-15-11(8)13-9/h2-5H,1H3,(H3,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.56E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair
Queuine tRNA-ribosyltransferase (Zymomonas mobilis)	BDBM50125762 (5,6-Dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione ...) Show SMILES O=c1[nH][nH]c(=O)c2[nH]cnc12 Show InChI InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)5(11)9-8-4/h1H,(H,6,7)(H,8,10)(H,9,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair
Queuine tRNA-ribosyltransferase (Zymomonas mobilis)	BDBM50125764 (3-Amino-6-phenyl-2,7-dihydro-pyrazolo[3,4-d]pyrimi...) Show SMILES Nc1[nH]nc2nc([nH]c(=O)c12)-c1ccccc1 Show InChI InChI=1S/C11H9N5O/c12-8-7-10(16-15-8)13-9(14-11(7)17)6-4-2-1-3-5-6/h1-5H,(H4,12,13,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.49E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Mycobacterium tuberculosis)	BDBM50355756 (CHEMBL1909658) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(O)c3C |r,c:33,t:3,27,35| Show InChI InChI=1S/C43H56N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-51H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay				Bioorg Med Chem Lett 21: 6094-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.054 BindingDB Entry DOI: 10.7270/Q2R78FMB
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Mycobacterium tuberculosis)	BDBM50355755 (CHEMBL1911296) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(SC)c3C |r,c:23,t:3,17,25| Show InChI InChI=1S/C38H47NO11S/c1-17-12-11-13-18(2)37(46)39-24-16-25(41)27-28(32(24)44)35(51-10)22(6)34-29(27)36(45)38(8,50-34)48-15-14-26(47-9)19(3)33(49-23(7)40)21(5)31(43)20(4)30(17)42/h11-17,19-21,26,30-31,33,42-43H,1-10H3,(H,39,46)/b12-11+,15-14+,18-13-/t17-,19+,20+,21+,26-,30-,31+,33+,38-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay				Bioorg Med Chem Lett 21: 6094-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.054 BindingDB Entry DOI: 10.7270/Q2R78FMB
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Mycobacterium tuberculosis)	BDBM50355751 (CHEMBL1911286) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(OS(=O)(=O)c1ccc(C)cc1)c3C |r,c:23,t:3,17,25| Show InChI InChI=1S/C44H51NO14S/c1-21-14-16-29(17-15-21)60(53,54)59-41-27(7)40-35-33-31(47)20-30(38(50)34(33)41)45-43(52)23(3)13-11-12-22(2)36(48)25(5)37(49)26(6)39(57-28(8)46)24(4)32(55-10)18-19-56-44(9,58-40)42(35)51/h11-20,22,24-26,32,36-37,39,48-49H,1-10H3,(H,45,52)/b12-11+,19-18+,23-13-/t22-,24+,25+,26+,32-,36-,37+,39+,44-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay				Bioorg Med Chem Lett 21: 6094-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.054 BindingDB Entry DOI: 10.7270/Q2R78FMB
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Mycobacterium tuberculosis)	BDBM50355758 (CHEMBL1911306) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c1nn(CCO)c(c3C)c21 |r,c:33,t:3,27,35| Show InChI InChI=1S/C45H60N6O11/c1-23-12-11-13-24(2)44(58)47-35-30(22-46-50-17-15-49(9)16-18-50)40(56)32-33-36(35)48-51(19-20-52)37(33)26(4)42-34(32)43(57)45(8,62-42)60-21-14-31(59-10)25(3)41(61-29(7)53)28(6)39(55)27(5)38(23)54/h11-14,21-23,25,27-28,31,38-39,41,52,54-55H,15-20H2,1-10H3,(H,47,58)/b12-11+,21-14+,24-13-,46-22+/t23-,25+,27+,28+,31-,38-,39+,41+,45-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay				Bioorg Med Chem Lett 21: 6094-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.054 BindingDB Entry DOI: 10.7270/Q2R78FMB
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Mycobacterium tuberculosis)	BDBM50355757 (CHEMBL1911298) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(OS(=O)(=O)c1ccccc1)c3C |r,c:33,t:3,27,35| Show InChI InChI=1S/C49H60N4O14S/c1-26-15-14-16-27(2)48(60)51-39-34(25-50-53-22-20-52(9)21-23-53)42(57)36-37(43(39)58)46(67-68(61,62)33-17-12-11-13-18-33)31(6)45-38(36)47(59)49(8,66-45)64-24-19-35(63-10)28(3)44(65-32(7)54)30(5)41(56)29(4)40(26)55/h11-19,24-26,28-30,35,40-41,44,55-56H,20-23H2,1-10H3,(H,51,60)/b15-14+,24-19+,27-16-,50-25+/t26-,28+,29+,30+,35-,40-,41+,44+,49-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay				Bioorg Med Chem Lett 21: 6094-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.054 BindingDB Entry DOI: 10.7270/Q2R78FMB
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Mycobacterium tuberculosis)	BDBM50355753 (CHEMBL1911289) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(N(C)C)c3C |r,c:23,t:3,17,25| Show InChI InChI=1S/C39H50N2O11/c1-18-13-12-14-19(2)38(48)40-25-17-26(43)28-29(34(25)46)31(41(9)10)21(4)36-30(28)37(47)39(8,52-36)50-16-15-27(49-11)20(3)35(51-24(7)42)23(6)33(45)22(5)32(18)44/h12-18,20,22-23,27,32-33,35,44-45H,1-11H3,(H,40,48)/b13-12+,16-15+,19-14-/t18-,20+,22+,23+,27-,32-,33+,35+,39-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	503	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay				Bioorg Med Chem Lett 21: 6094-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.054 BindingDB Entry DOI: 10.7270/Q2R78FMB
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM50491557 (CHEMBL2046886) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c4nc5c(OCCCCN6CCN(CCn7ccnc7)CC6)cccc5oc4c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(=O)c2c(O)c3C |r,c:52,t:3,54| Show InChI InChI=1S/C56H70N6O13/c1-31-14-12-15-32(2)55(69)59-46-50(67)42-41(45-53(46)74-40-17-13-16-39(44(40)58-45)71-28-11-10-20-60-22-24-61(25-23-60)26-27-62-21-19-57-30-62)43-52(36(6)49(42)66)75-56(8,54(43)68)72-29-18-38(70-9)33(3)51(73-37(7)63)35(5)48(65)34(4)47(31)64/h12-19,21,29-31,33-35,38,47-48,51,64-66H,10-11,20,22-28H2,1-9H3,(H,59,69)/b14-12+,29-18+,32-15-/t31-,33+,34+,35+,38-,47-,48+,51+,56-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of rifamycin-resistant Escherichia coli RNA polymerase D516V mutant after 10 mins by rolling circle transcription assay in presence of DNA...				J Med Chem 56: 4758-63 (2013) Article DOI: 10.1021/jm4004889 BindingDB Entry DOI: 10.7270/Q2SF303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA-directed RNA polymerase subunit beta (Mycobacterium tuberculosis)	BDBM50355752 (CHEMBL1911287) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(N)c3C |r,c:23,t:3,17,25| Show InChI InChI=1S/C37H46N2O11/c1-16-11-10-12-17(2)36(46)39-23-15-24(41)26-27(32(23)44)29(38)19(4)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)40)21(6)31(43)20(5)30(16)42/h10-16,18,20-21,25,30-31,33,42-43H,38H2,1-9H3,(H,39,46)/b11-10+,14-13+,17-12-/t16-,18+,20+,21+,25-,30-,31+,33+,37-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay				Bioorg Med Chem Lett 21: 6094-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.054 BindingDB Entry DOI: 10.7270/Q2R78FMB
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM50386752 (CHEMBL2046887) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c4nc5c(OCCCCN6CCN(CC6)C(=O)Cn6ccnc6)cccc5oc4c(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(=O)c2c(O)c3C |r,w:50.54,47.52,t:3| Show InChI InChI=1S/C56H68N6O14/c1-30-14-12-15-31(2)55(70)59-46-50(68)42-41(45-53(46)75-39-17-13-16-38(44(39)58-45)72-26-11-10-20-60-22-24-62(25-23-60)40(64)28-61-21-19-57-29-61)43-52(35(6)49(42)67)76-56(8,54(43)69)73-27-18-37(71-9)32(3)51(74-36(7)63)34(5)48(66)33(4)47(30)65/h12-19,21,27,29-30,32-34,37,47-48,51,65-67H,10-11,20,22-26,28H2,1-9H3,(H,59,70)/b14-12?,27-18+,31-15?/t30-,32+,33+,34+,37-,47-,48+,51+,56-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of rifamycin-resistant Escherichia coli RNA polymerase S531L mutant after 10 mins by rolling circle transcription assay in presence of DNA...				J Med Chem 56: 4758-63 (2013) Article DOI: 10.1021/jm4004889 BindingDB Entry DOI: 10.7270/Q2SF303Q
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Mycobacterium tuberculosis)	BDBM50355754 (CHEMBL1911295) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(NC1CCCCCC1)c3C |r,c:23,t:3,17,25| Show InChI InChI=1S/C44H58N2O11/c1-22-15-14-16-23(2)43(53)46-30-21-31(48)33-34(39(30)51)36(45-29-17-12-10-11-13-18-29)25(4)41-35(33)42(52)44(8,57-41)55-20-19-32(54-9)24(3)40(56-28(7)47)27(6)38(50)26(5)37(22)49/h14-16,19-22,24,26-27,29,32,37-38,40,45,49-50H,10-13,17-18H2,1-9H3,(H,46,53)/b15-14+,20-19+,23-16-/t22-,24+,26+,27+,32-,37-,38+,40+,44-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay				Bioorg Med Chem Lett 21: 6094-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.054 BindingDB Entry DOI: 10.7270/Q2R78FMB
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM50491558 (CHEMBL2046885) Show SMILES CCN(CC)CCOc1cccc2oc3c4NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)\C=C\O[C@@]5(C)Oc6c(C5=O)c(c3nc12)c(c(O)c6C)c4=O |r,c:20,t:22,44| Show InChI InChI=1S/C49H61N3O13/c1-12-52(13-2)21-23-61-32-18-15-19-33-37(32)50-38-34-35-42(56)29(8)45-36(34)47(58)49(10,65-45)62-22-20-31(60-11)26(5)44(63-30(9)53)28(7)41(55)27(6)40(54)24(3)16-14-17-25(4)48(59)51-39(43(35)57)46(38)64-33/h14-20,22,24,26-28,31,40-41,44,54-56H,12-13,21,23H2,1-11H3,(H,51,59)/b16-14+,22-20+,25-17-/t24-,26+,27+,28+,31-,40-,41+,44+,49-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of rifamycin-resistant Escherichia coli RNA polymerase D516V mutant after 10 mins by rolling circle transcription assay in presence of DNA...				J Med Chem 56: 4758-63 (2013) Article DOI: 10.1021/jm4004889 BindingDB Entry DOI: 10.7270/Q2SF303Q
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM50386752 (CHEMBL2046887) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c4nc5c(OCCCCN6CCN(CC6)C(=O)Cn6ccnc6)cccc5oc4c(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(=O)c2c(O)c3C |r,w:50.54,47.52,t:3| Show InChI InChI=1S/C56H68N6O14/c1-30-14-12-15-31(2)55(70)59-46-50(68)42-41(45-53(46)75-39-17-13-16-38(44(39)58-45)72-26-11-10-20-60-22-24-62(25-23-60)40(64)28-61-21-19-57-29-61)43-52(35(6)49(42)67)76-56(8,54(43)69)73-27-18-37(71-9)32(3)51(74-36(7)63)34(5)48(66)33(4)47(30)65/h12-19,21,27,29-30,32-34,37,47-48,51,65-67H,10-11,20,22-26,28H2,1-9H3,(H,59,70)/b14-12?,27-18+,31-15?/t30-,32+,33+,34+,37-,47-,48+,51+,56-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of rifamycin-resistant Escherichia coli RNA polymerase D516V mutant after 10 mins by rolling circle transcription assay in presence of DNA...				J Med Chem 56: 4758-63 (2013) Article DOI: 10.1021/jm4004889 BindingDB Entry DOI: 10.7270/Q2SF303Q
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM50491559 (KRM-1648 | Rifalazil) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c4nc5c(O)cc(cc5oc4c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(=O)c2c(O)c3C)N1CCN(CC(C)C)CC1 |c:33,t:3,35| Show InChI InChI=1S/C51H64N4O13/c1-24(2)23-54-16-18-55(19-17-54)32-21-33(57)39-35(22-32)67-48-40(52-39)36-37-44(60)30(8)47-38(36)49(62)51(10,68-47)65-20-15-34(64-11)27(5)46(66-31(9)56)29(7)43(59)28(6)42(58)25(3)13-12-14-26(4)50(63)53-41(48)45(37)61/h12-15,20-22,24-25,27-29,34,42-43,46,57-60H,16-19,23H2,1-11H3,(H,53,63)/b13-12+,20-15+,26-14-/t25-,27+,28+,29+,34-,42-,43+,46+,51-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of rifamycin-resistant Escherichia coli RNA polymerase S531L mutant after 10 mins by rolling circle transcription assay in presence of DNA...				J Med Chem 56: 4758-63 (2013) Article DOI: 10.1021/jm4004889 BindingDB Entry DOI: 10.7270/Q2SF303Q
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM50491558 (CHEMBL2046885) Show SMILES CCN(CC)CCOc1cccc2oc3c4NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)\C=C\O[C@@]5(C)Oc6c(C5=O)c(c3nc12)c(c(O)c6C)c4=O |r,c:20,t:22,44| Show InChI InChI=1S/C49H61N3O13/c1-12-52(13-2)21-23-61-32-18-15-19-33-37(32)50-38-34-35-42(56)29(8)45-36(34)47(58)49(10,65-45)62-22-20-31(60-11)26(5)44(63-30(9)53)28(7)41(55)27(6)40(54)24(3)16-14-17-25(4)48(59)51-39(43(35)57)46(38)64-33/h14-20,22,24,26-28,31,40-41,44,54-56H,12-13,21,23H2,1-11H3,(H,51,59)/b16-14+,22-20+,25-17-/t24-,26+,27+,28+,31-,40-,41+,44+,49-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of rifamycin-resistant Escherichia coli RNA polymerase S531L mutant after 10 mins by rolling circle transcription assay in presence of DNA...				J Med Chem 56: 4758-63 (2013) Article DOI: 10.1021/jm4004889 BindingDB Entry DOI: 10.7270/Q2SF303Q
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM50491557 (CHEMBL2046886) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c4nc5c(OCCCCN6CCN(CCn7ccnc7)CC6)cccc5oc4c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(=O)c2c(O)c3C |r,c:52,t:3,54| Show InChI InChI=1S/C56H70N6O13/c1-31-14-12-15-32(2)55(69)59-46-50(67)42-41(45-53(46)74-40-17-13-16-39(44(40)58-45)71-28-11-10-20-60-22-24-61(25-23-60)26-27-62-21-19-57-30-62)43-52(36(6)49(42)66)75-56(8,54(43)68)72-29-18-38(70-9)33(3)51(73-37(7)63)35(5)48(65)34(4)47(31)64/h12-19,21,29-31,33-35,38,47-48,51,64-66H,10-11,20,22-28H2,1-9H3,(H,59,69)/b14-12+,29-18+,32-15-/t31-,33+,34+,35+,38-,47-,48+,51+,56-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of rifamycin-resistant Escherichia coli RNA polymerase S531L mutant after 10 mins by rolling circle transcription assay in presence of DNA...				J Med Chem 56: 4758-63 (2013) Article DOI: 10.1021/jm4004889 BindingDB Entry DOI: 10.7270/Q2SF303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM50370232 (BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.71E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of rifamycin-resistant Escherichia coli RNA polymerase S531L mutant after 10 mins by rolling circle transcription assay in presence of DNA...				J Med Chem 56: 4758-63 (2013) Article DOI: 10.1021/jm4004889 BindingDB Entry DOI: 10.7270/Q2SF303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM50491559 (KRM-1648 | Rifalazil) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c4nc5c(O)cc(cc5oc4c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(=O)c2c(O)c3C)N1CCN(CC(C)C)CC1 |c:33,t:3,35| Show InChI InChI=1S/C51H64N4O13/c1-24(2)23-54-16-18-55(19-17-54)32-21-33(57)39-35(22-32)67-48-40(52-39)36-37-44(60)30(8)47-38(36)49(62)51(10,68-47)65-20-15-34(64-11)27(5)46(66-31(9)56)29(7)43(59)28(6)42(58)25(3)13-12-14-26(4)50(63)53-41(48)45(37)61/h12-15,20-22,24-25,27-29,34,42-43,46,57-60H,16-19,23H2,1-11H3,(H,53,63)/b13-12+,20-15+,26-14-/t25-,27+,28+,29+,34-,42-,43+,46+,51-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of rifamycin-resistant Escherichia coli RNA polymerase D516V mutant after 10 mins by rolling circle transcription assay in presence of DNA...				J Med Chem 56: 4758-63 (2013) Article DOI: 10.1021/jm4004889 BindingDB Entry DOI: 10.7270/Q2SF303Q
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM50370232 (BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of rifamycin-resistant Escherichia coli RNA polymerase D516V mutant after 10 mins by rolling circle transcription assay in presence of DNA...				J Med Chem 56: 4758-63 (2013) Article DOI: 10.1021/jm4004889 BindingDB Entry DOI: 10.7270/Q2SF303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM50491559 (KRM-1648 | Rifalazil) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c4nc5c(O)cc(cc5oc4c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(=O)c2c(O)c3C)N1CCN(CC(C)C)CC1 |c:33,t:3,35| Show InChI InChI=1S/C51H64N4O13/c1-24(2)23-54-16-18-55(19-17-54)32-21-33(57)39-35(22-32)67-48-40(52-39)36-37-44(60)30(8)47-38(36)49(62)51(10,68-47)65-20-15-34(64-11)27(5)46(66-31(9)56)29(7)43(59)28(6)42(58)25(3)13-12-14-26(4)50(63)53-41(48)45(37)61/h12-15,20-22,24-25,27-29,34,42-43,46,57-60H,16-19,23H2,1-11H3,(H,53,63)/b13-12+,20-15+,26-14-/t25-,27+,28+,29+,34-,42-,43+,46+,51-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.99E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of rifamycin-resistant Escherichia coli RNA polymerase H526Y mutant after 10 mins by rolling circle transcription assay in presence of DNA...				J Med Chem 56: 4758-63 (2013) Article DOI: 10.1021/jm4004889 BindingDB Entry DOI: 10.7270/Q2SF303Q
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM50370232 (BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.13E+6	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of rifamycin-resistant Escherichia coli RNA polymerase H526Y mutant after 10 mins by rolling circle transcription assay in presence of DNA...				J Med Chem 56: 4758-63 (2013) Article DOI: 10.1021/jm4004889 BindingDB Entry DOI: 10.7270/Q2SF303Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM50491558 (CHEMBL2046885) Show SMILES CCN(CC)CCOc1cccc2oc3c4NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)\C=C\O[C@@]5(C)Oc6c(C5=O)c(c3nc12)c(c(O)c6C)c4=O |r,c:20,t:22,44| Show InChI InChI=1S/C49H61N3O13/c1-12-52(13-2)21-23-61-32-18-15-19-33-37(32)50-38-34-35-42(56)29(8)45-36(34)47(58)49(10,65-45)62-22-20-31(60-11)26(5)44(63-30(9)53)28(7)41(55)27(6)40(54)24(3)16-14-17-25(4)48(59)51-39(43(35)57)46(38)64-33/h14-20,22,24,26-28,31,40-41,44,54-56H,12-13,21,23H2,1-11H3,(H,51,59)/b16-14+,22-20+,25-17-/t24-,26+,27+,28+,31-,40-,41+,44+,49-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+6	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of rifamycin-resistant Escherichia coli RNA polymerase H526Y mutant after 10 mins by rolling circle transcription assay in presence of DNA...				J Med Chem 56: 4758-63 (2013) Article DOI: 10.1021/jm4004889 BindingDB Entry DOI: 10.7270/Q2SF303Q
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM50386752 (CHEMBL2046887) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c4nc5c(OCCCCN6CCN(CC6)C(=O)Cn6ccnc6)cccc5oc4c(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(=O)c2c(O)c3C |r,w:50.54,47.52,t:3| Show InChI InChI=1S/C56H68N6O14/c1-30-14-12-15-31(2)55(70)59-46-50(68)42-41(45-53(46)75-39-17-13-16-38(44(39)58-45)72-26-11-10-20-60-22-24-62(25-23-60)40(64)28-61-21-19-57-29-61)43-52(35(6)49(42)67)76-56(8,54(43)69)73-27-18-37(71-9)32(3)51(74-36(7)63)34(5)48(66)33(4)47(30)65/h12-19,21,27,29-30,32-34,37,47-48,51,65-67H,10-11,20,22-26,28H2,1-9H3,(H,59,70)/b14-12?,27-18+,31-15?/t30-,32+,33+,34+,37-,47-,48+,51+,56-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+6	n/a	n/a	n/a	n/a	n/a	n/a
The Pennsylvania State University Curated by ChEMBL					Assay Description Inhibition of rifamycin-resistant Escherichia coli RNA polymerase H526Y mutant after 10 mins by rolling circle transcription assay in presence of DNA...				J Med Chem 56: 4758-63 (2013) Article DOI: 10.1021/jm4004889 BindingDB Entry DOI: 10.7270/Q2SF303Q
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50355759 (CHEMBL1911299) Show SMILES CNc1c(C)c2O[C@]3(C)O\C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(C)/C(=O)NC4=C(\C=N\N5CCN(C)CC5)C(=O)c(c2C3=O)c1C4=O |r,c:40,t:10,32,34| Show InChI InChI=1S/C44H59N5O11/c1-22-13-12-14-23(2)43(56)47-35-29(21-46-49-18-16-48(10)17-19-49)38(53)31-32(39(35)54)34(45-9)25(4)41-33(31)42(55)44(8,60-41)58-20-15-30(57-11)24(3)40(59-28(7)50)27(6)37(52)26(5)36(22)51/h12-15,20-22,24,26-27,30,36-37,40,45,51-52H,16-19H2,1-11H3,(H,47,56)/b13-12+,20-15+,23-14-,46-21+/t22-,24+,26+,27+,30-,36-,37+,40+,44-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Activation of human PXR in DPX2 cells after 24 hrs by microplate reader relative to control				Bioorg Med Chem Lett 21: 6094-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.054 BindingDB Entry DOI: 10.7270/Q2R78FMB
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50370232 (BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Activation of human PXR in DPX2 cells after 24 hrs by microplate reader relative to control				Bioorg Med Chem Lett 21: 6094-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.054 BindingDB Entry DOI: 10.7270/Q2R78FMB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50386752 (CHEMBL2046887) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c4nc5c(OCCCCN6CCN(CC6)C(=O)Cn6ccnc6)cccc5oc4c(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(=O)c2c(O)c3C |r,w:50.54,47.52,t:3| Show InChI InChI=1S/C56H68N6O14/c1-30-14-12-15-31(2)55(70)59-46-50(68)42-41(45-53(46)75-39-17-13-16-38(44(39)58-45)72-26-11-10-20-60-22-24-62(25-23-60)40(64)28-61-21-19-57-29-61)43-52(35(6)49(42)67)76-56(8,54(43)69)73-27-18-37(71-9)32(3)51(74-36(7)63)34(5)48(66)33(4)47(30)65/h12-19,21,27,29-30,32-34,37,47-48,51,65-67H,10-11,20,22-26,28H2,1-9H3,(H,59,70)/b14-12?,27-18+,31-15?/t30-,32+,33+,34+,37-,47-,48+,51+,56-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Activation of PXR in human DPX2 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 55: 3814-26 (2012) Article DOI: 10.1021/jm201716n BindingDB Entry DOI: 10.7270/Q2GH9K0K
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50370232 (BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Activation of PXR in human DPX2 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 55: 3814-26 (2012) Article DOI: 10.1021/jm201716n BindingDB Entry DOI: 10.7270/Q2GH9K0K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50355760 (CHEMBL1911307) Show SMILES CNc1c(C)c2O[C@]3(C)O\C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(C)/C(=O)Nc4c(O)c1c(c2C3=O)c(O)c4\C=N\N1CCN(C)CC1 |r,t:10,32,34| Show InChI InChI=1S/C44H61N5O11/c1-22-13-12-14-23(2)43(56)47-35-29(21-46-49-18-16-48(10)17-19-49)38(53)31-32(39(35)54)34(45-9)25(4)41-33(31)42(55)44(8,60-41)58-20-15-30(57-11)24(3)40(59-28(7)50)27(6)37(52)26(5)36(22)51/h12-15,20-22,24,26-27,30,36-37,40,45,51-54H,16-19H2,1-11H3,(H,47,56)/b13-12+,20-15+,23-14-,46-21+/t22-,24+,26+,27+,30-,36-,37+,40+,44-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Activation of human PXR in DPX2 cells after 24 hrs by microplate reader relative to control				Bioorg Med Chem Lett 21: 6094-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.054 BindingDB Entry DOI: 10.7270/Q2R78FMB
					More data for this Ligand-Target Pair