Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'illarionov' and Initial = 'b'   

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
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316579 (2-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) Show SMILES OP(O)(=O)OCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C13H13N2O7PS/c16-13-9-3-1-2-8-11(5-4-10(15-13)12(8)9)24(20,21)14-6-7-22-23(17,18)19/h1-5,14H,6-7H2,(H,15,16)(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate complex state after 30 mins by fluorescence assay				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316577 (4-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) Show SMILES OP(O)(=O)OCCCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C15H17N2O7PS/c18-15-11-5-3-4-10-13(7-6-12(17-15)14(10)11)26(22,23)16-8-1-2-9-24-25(19,20)21/h3-7,16H,1-2,8-9H2,(H,17,18)(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate complex state after 30 mins by fluorescence assay				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316578 (3-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) Show SMILES OP(O)(=O)OCCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C14H15N2O7PS/c17-14-10-4-1-3-9-12(6-5-11(16-14)13(9)10)25(21,22)15-7-2-8-23-24(18,19)20/h1,3-6,15H,2,7-8H2,(H,16,17)(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate complex state after 30 mins by fluorescence assay				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316576 (1,1-difluoro-5-(2-oxo-1,2-dihydrobenzo[cd]indole-6...) Show SMILES OP(O)(=O)C(F)(F)CCCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C16H17F2N2O6PS/c17-16(18,27(22,23)24)8-1-2-9-19-28(25,26)13-7-6-12-14-10(13)4-3-5-11(14)15(21)20-12/h3-7,19H,1-2,8-9H2,(H,20,21)(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate complex state after 30 mins by fluorescence assay				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316580 (6-(2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) Show SMILES OP(O)(=O)OCCCCCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C17H21N2O7PS/c20-17-13-7-5-6-12-15(9-8-14(19-17)16(12)13)28(24,25)18-10-3-1-2-4-11-26-27(21,22)23/h5-9,18H,1-4,10-11H2,(H,19,20)(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate complex state after 30 mins by fluorescence assay				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316581 (5-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) Show SMILES OP(O)(=O)OCCCCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C16H19N2O7PS/c19-16-12-6-4-5-11-14(8-7-13(18-16)15(11)12)27(23,24)17-9-2-1-3-10-25-26(20,21)22/h4-8,17H,1-3,9-10H2,(H,18,19)(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate complex state after 30 mins by fluorescence assay				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316575 (CHEMBL1095229 | Ethyl2-(6-chloro-2,4,dioxo-1,2,3,4...) Show SMILES CCOC(=O)C(=O)Nc1c(Cl)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C8H8ClN3O5/c1-2-17-7(15)6(14)10-3-4(9)11-8(16)12-5(3)13/h2H2,1H3,(H,10,14)(H2,11,12,13,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate complex state after 30 mins by fluorescence assay				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316577 (4-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) Show SMILES OP(O)(=O)OCCCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C15H17N2O7PS/c18-15-11-5-3-4-10-13(7-6-12(17-15)14(10)11)26(22,23)16-8-1-2-9-24-25(19,20)21/h3-7,16H,1-2,8-9H2,(H,17,18)(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-inhibitor complex state after 30 mins by fluorescence assay				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316574 (2-(2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) Show SMILES OC(=O)CNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C13H10N2O5S/c16-11(17)6-14-21(19,20)10-5-4-9-12-7(10)2-1-3-8(12)13(18)15-9/h1-5,14H,6H2,(H,15,18)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate-inhibitor complex state after 30 mins by fluorescence assa...				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316574 (2-(2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) Show SMILES OC(=O)CNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C13H10N2O5S/c16-11(17)6-14-21(19,20)10-5-4-9-12-7(10)2-1-3-8(12)13(18)15-9/h1-5,14H,6H2,(H,15,18)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-inhibitor complex state after 30 mins by fluorescence assay				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316578 (3-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) Show SMILES OP(O)(=O)OCCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C14H15N2O7PS/c17-14-10-4-1-3-9-12(6-5-11(16-14)13(9)10)25(21,22)15-7-2-8-23-24(18,19)20/h1,3-6,15H,2,7-8H2,(H,16,17)(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-inhibitor complex state after 30 mins by fluorescence assay				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316579 (2-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) Show SMILES OP(O)(=O)OCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C13H13N2O7PS/c16-13-9-3-1-2-8-11(5-4-10(15-13)12(8)9)24(20,21)14-6-7-22-23(17,18)19/h1-5,14H,6-7H2,(H,15,16)(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate-inhibitor complex state after 30 mins by fluorescence assa...				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316579 (2-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) Show SMILES OP(O)(=O)OCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C13H13N2O7PS/c16-13-9-3-1-2-8-11(5-4-10(15-13)12(8)9)24(20,21)14-6-7-22-23(17,18)19/h1-5,14H,6-7H2,(H,15,16)(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-inhibitor complex state after 30 mins by fluorescence assay				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316578 (3-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) Show SMILES OP(O)(=O)OCCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C14H15N2O7PS/c17-14-10-4-1-3-9-12(6-5-11(16-14)13(9)10)25(21,22)15-7-2-8-23-24(18,19)20/h1,3-6,15H,2,7-8H2,(H,16,17)(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.34E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate-inhibitor complex state after 30 mins by fluorescence assa...				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316576 (1,1-difluoro-5-(2-oxo-1,2-dihydrobenzo[cd]indole-6...) Show SMILES OP(O)(=O)C(F)(F)CCCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C16H17F2N2O6PS/c17-16(18,27(22,23)24)8-1-2-9-19-28(25,26)13-7-6-12-14-10(13)4-3-5-11(14)15(21)20-12/h3-7,19H,1-2,8-9H2,(H,20,21)(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.18E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate-inhibitor complex state after 30 mins by fluorescence assa...				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316581 (5-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) Show SMILES OP(O)(=O)OCCCCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C16H19N2O7PS/c19-16-12-6-4-5-11-14(8-7-13(18-16)15(11)12)27(23,24)17-9-2-1-3-10-25-26(20,21)22/h4-8,17H,1-3,9-10H2,(H,18,19)(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.63E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate-inhibitor complex state after 30 mins by fluorescence assa...				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316577 (4-(2-Oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) Show SMILES OP(O)(=O)OCCCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C15H17N2O7PS/c18-15-11-5-3-4-10-13(7-6-12(17-15)14(10)11)26(22,23)16-8-1-2-9-24-25(19,20)21/h3-7,16H,1-2,8-9H2,(H,17,18)(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.72E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate-inhibitor complex state after 30 mins by fluorescence assa...				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316580 (6-(2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)...) Show SMILES OP(O)(=O)OCCCCCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C17H21N2O7PS/c20-17-13-7-5-6-12-15(9-8-14(19-17)16(12)13)28(24,25)18-10-3-1-2-4-11-26-27(21,22)23/h5-9,18H,1-4,10-11H2,(H,19,20)(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.23E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate-inhibitor complex state after 30 mins by fluorescence assa...				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316575 (CHEMBL1095229 | Ethyl2-(6-chloro-2,4,dioxo-1,2,3,4...) Show SMILES CCOC(=O)C(=O)Nc1c(Cl)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C8H8ClN3O5/c1-2-17-7(15)6(14)10-3-4(9)11-8(16)12-5(3)13/h2H2,1H3,(H,10,14)(H2,11,12,13,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.32E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-inhibitor complex state after 30 mins by fluorescence assay				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316576 (1,1-difluoro-5-(2-oxo-1,2-dihydrobenzo[cd]indole-6...) Show SMILES OP(O)(=O)C(F)(F)CCCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23 Show InChI InChI=1S/C16H17F2N2O6PS/c17-16(18,27(22,23)24)8-1-2-9-19-28(25,26)13-7-6-12-14-10(13)4-3-5-11(14)15(21)20-12/h3-7,19H,1-2,8-9H2,(H,20,21)(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.32E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-inhibitor complex state after 30 mins by fluorescence assay				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
6,7-dimethyl-8-ribityllumazine synthase (Mycobacterium tuberculosis)	BDBM50316575 (CHEMBL1095229 | Ethyl2-(6-chloro-2,4,dioxo-1,2,3,4...) Show SMILES CCOC(=O)C(=O)Nc1c(Cl)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C8H8ClN3O5/c1-2-17-7(15)6(14)10-3-4(9)11-8(16)12-5(3)13/h2H2,1H3,(H,10,14)(H2,11,12,13,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate-inhibitor complex state after 30 mins by fluorescence assa...				Bioorg Med Chem 18: 3518-34 (2010) Article DOI: 10.1016/j.bmc.2010.03.072 BindingDB Entry DOI: 10.7270/Q29P31S5
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50441210 (CHEMBL2431008) Show SMILES CN(O)C(=O)CSC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O Show InChI InChI=1S/C10H12Cl2NO5PS/c1-13(15)9(14)5-20-10(19(16,17)18)6-2-3-7(11)8(12)4-6/h2-4,10,15H,5H2,1H3,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Lehrstuhl für Biochemie Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis IspC by photometric assay				J Med Chem 56: 8151-62 (2013) Article DOI: 10.1021/jm4012559 BindingDB Entry DOI: 10.7270/Q2JH3NN8
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50528602 (CHEMBL4567904) Show SMILES ONC(=O)CSC(c1cc(F)cc(F)c1)P(O)(O)=O Show InChI InChI=1S/C9H10F2NO5PS/c10-6-1-5(2-7(11)3-6)9(18(15,16)17)19-4-8(13)12-14/h1-3,9,14H,4H2,(H,12,13)(H2,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum IspC expressed in Escherichia coli using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric a...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50528593 (CHEMBL4590343) Show SMILES CN(O)C(=O)CSC(c1cc(F)cc(F)c1)P(O)(O)=O Show InChI InChI=1S/C10H12F2NO5PS/c1-13(15)9(14)5-20-10(19(16,17)18)6-2-7(11)4-8(12)3-6/h2-4,10,15H,5H2,1H3,(H2,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum IspC expressed in Escherichia coli using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric a...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50528602 (CHEMBL4567904) Show SMILES ONC(=O)CSC(c1cc(F)cc(F)c1)P(O)(O)=O Show InChI InChI=1S/C9H10F2NO5PS/c10-6-1-5(2-7(11)3-6)9(18(15,16)17)19-4-8(13)12-14/h1-3,9,14H,4H2,(H,12,13)(H2,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli IspC expressed in Escherichia coli M15 using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric as...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50528593 (CHEMBL4590343) Show SMILES CN(O)C(=O)CSC(c1cc(F)cc(F)c1)P(O)(O)=O Show InChI InChI=1S/C10H12F2NO5PS/c1-13(15)9(14)5-20-10(19(16,17)18)6-2-7(11)4-8(12)3-6/h2-4,10,15H,5H2,1H3,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli IspC expressed in Escherichia coli M15 using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric as...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50528597 (CHEMBL4592986) Show SMILES COc1cc(OC)cc(c1)C(SCC(=O)N(C)O)P(O)(O)=O Show InChI InChI=1S/C12H18NO7PS/c1-13(15)11(14)7-22-12(21(16,17)18)8-4-9(19-2)6-10(5-8)20-3/h4-6,12,15H,7H2,1-3H3,(H2,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum IspC expressed in Escherichia coli using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric a...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50528598 (CHEMBL4474216) Show SMILES CSc1ccc(cc1)C(SCC(=O)NO)P(O)(O)=O Show InChI InChI=1S/C10H14NO5PS2/c1-18-8-4-2-7(3-5-8)10(17(14,15)16)19-6-9(12)11-13/h2-5,10,13H,6H2,1H3,(H,11,12)(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli IspC expressed in Escherichia coli M15 using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric as...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50528603 (CHEMBL4544750) Show SMILES COc1cc(OC)cc(c1)C(SCC(=O)NO)P(O)(O)=O Show InChI InChI=1S/C11H16NO7PS/c1-18-8-3-7(4-9(5-8)19-2)11(20(15,16)17)21-6-10(13)12-14/h3-5,11,14H,6H2,1-2H3,(H,12,13)(H2,15,16,17)	PDB UniProtKB/SwissProt 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
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum IspC expressed in Escherichia coli using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric a...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50528598 (CHEMBL4474216) Show SMILES CSc1ccc(cc1)C(SCC(=O)NO)P(O)(O)=O Show InChI InChI=1S/C10H14NO5PS2/c1-18-8-4-2-7(3-5-8)10(17(14,15)16)19-6-9(12)11-13/h2-5,10,13H,6H2,1H3,(H,11,12)(H2,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum IspC expressed in Escherichia coli using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric a...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50528590 (CHEMBL4447571) Show SMILES Cc1ccc(cc1)C(SCC(=O)NO)P(O)(O)=O Show InChI InChI=1S/C10H14NO5PS/c1-7-2-4-8(5-3-7)10(17(14,15)16)18-6-9(12)11-13/h2-5,10,13H,6H2,1H3,(H,11,12)(H2,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum IspC expressed in Escherichia coli using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric a...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50441211 (CHEMBL2431007) Show SMILES CN(O)C(=O)CSC(c1ccc(F)c(F)c1)P(O)(O)=O Show InChI InChI=1S/C10H12F2NO5PS/c1-13(15)9(14)5-20-10(19(16,17)18)6-2-3-7(11)8(12)4-6/h2-4,10,15H,5H2,1H3,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Lehrstuhl für Biochemie Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis IspC by photometric assay				J Med Chem 56: 8151-62 (2013) Article DOI: 10.1021/jm4012559 BindingDB Entry DOI: 10.7270/Q2JH3NN8
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50028362 (CHEMBL3341763) Show SMILES COc1ccc(cc1)C(CCC(=O)N(C)O)P(O)(O)=O Show InChI InChI=1S/C12H18NO6P/c1-13(15)12(14)8-7-11(20(16,17)18)9-3-5-10(19-2)6-4-9/h3-6,11,15H,7-8H2,1-2H3,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine Universit£t Curated by ChEMBL					Assay Description Inhibition of Escherichia coli M15 recombinant IspC using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric analysis				J Med Chem 57: 8827-38 (2014) Article DOI: 10.1021/jm500850y BindingDB Entry DOI: 10.7270/Q2KP83RX
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50528598 (CHEMBL4474216) Show SMILES CSc1ccc(cc1)C(SCC(=O)NO)P(O)(O)=O Show InChI InChI=1S/C10H14NO5PS2/c1-18-8-4-2-7(3-5-8)10(17(14,15)16)19-6-9(12)11-13/h2-5,10,13H,6H2,1H3,(H,11,12)(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis IspC expressed in Escherichia coli M15 using 1-deoxy-D-xylulose 5-phosphate as substrate by phot...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50528593 (CHEMBL4590343) Show SMILES CN(O)C(=O)CSC(c1cc(F)cc(F)c1)P(O)(O)=O Show InChI InChI=1S/C10H12F2NO5PS/c1-13(15)9(14)5-20-10(19(16,17)18)6-2-7(11)4-8(12)3-6/h2-4,10,15H,5H2,1H3,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis IspC expressed in Escherichia coli M15 using 1-deoxy-D-xylulose 5-phosphate as substrate by phot...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50441208 (CHEMBL2431010) Show SMILES CN(O)C(=O)CSC(c1ccc(C)cc1)P(O)(O)=O Show InChI InChI=1S/C11H16NO5PS/c1-8-3-5-9(6-4-8)11(18(15,16)17)19-7-10(13)12(2)14/h3-6,11,14H,7H2,1-2H3,(H2,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Lehrstuhl für Biochemie Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis IspC by photometric assay				J Med Chem 56: 8151-62 (2013) Article DOI: 10.1021/jm4012559 BindingDB Entry DOI: 10.7270/Q2JH3NN8
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50441189 (CHEMBL2431003) Show SMILES CN(O)C(=O)CS[C@@H](c1ccccc1)P(O)(O)=O |r| Show InChI InChI=1S/C10H14NO5PS/c1-11(13)9(12)7-18-10(17(14,15)16)8-5-3-2-4-6-8/h2-6,10,13H,7H2,1H3,(H2,14,15,16)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Lehrstuhl für Biochemie Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis IspC by photometric assay				J Med Chem 56: 8151-62 (2013) Article DOI: 10.1021/jm4012559 BindingDB Entry DOI: 10.7270/Q2JH3NN8
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50028363 (CHEMBL3342259) Show SMILES COc1ccc(cc1)C(CCC(=O)NO)P(O)(O)=O Show InChI InChI=1S/C11H16NO6P/c1-18-9-4-2-8(3-5-9)10(19(15,16)17)6-7-11(13)12-14/h2-5,10,14H,6-7H2,1H3,(H,12,13)(H2,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine Universit£t Curated by ChEMBL					Assay Description Inhibition of Escherichia coli M15 recombinant IspC using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric analysis				J Med Chem 57: 8827-38 (2014) Article DOI: 10.1021/jm500850y BindingDB Entry DOI: 10.7270/Q2KP83RX
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50528597 (CHEMBL4592986) Show SMILES COc1cc(OC)cc(c1)C(SCC(=O)N(C)O)P(O)(O)=O Show InChI InChI=1S/C12H18NO7PS/c1-13(15)11(14)7-22-12(21(16,17)18)8-4-9(19-2)6-10(5-8)20-3/h4-6,12,15H,7H2,1-3H3,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli IspC expressed in Escherichia coli M15 using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric as...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50028309 (Fosmidomycin Sodium) Show SMILES [Na+].ON(CCCP(O)([O-])=O)C=O Show InChI InChI=1S/C4H10NO5P.Na/c6-4-5(7)2-1-3-11(8,9)10;/h4,7H,1-3H2,(H2,8,9,10);/q;+1/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum IspC expressed in Escherichia coli using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric a...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50028309 (Fosmidomycin Sodium) Show SMILES [Na+].ON(CCCP(O)([O-])=O)C=O Show InChI InChI=1S/C4H10NO5P.Na/c6-4-5(7)2-1-3-11(8,9)10;/h4,7H,1-3H2,(H2,8,9,10);/q;+1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli IspC expressed in Escherichia coli M15 using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric as...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50028309 (Fosmidomycin Sodium) Show SMILES [Na+].ON(CCCP(O)([O-])=O)C=O Show InChI InChI=1S/C4H10NO5P.Na/c6-4-5(7)2-1-3-11(8,9)10;/h4,7H,1-3H2,(H2,8,9,10);/q;+1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine Universit£t Curated by ChEMBL					Assay Description Inhibition of Escherichia coli M15 recombinant IspC using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric analysis				J Med Chem 57: 8827-38 (2014) Article DOI: 10.1021/jm500850y BindingDB Entry DOI: 10.7270/Q2KP83RX
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50528601 (CHEMBL4437978) Show SMILES COc1cc(OC)cc(c1)C(P(O)(O)=O)S(=O)(=O)CC(=O)NO Show InChI InChI=1S/C11H16NO9PS/c1-20-8-3-7(4-9(5-8)21-2)11(22(15,16)17)23(18,19)6-10(13)12-14/h3-5,11,14H,6H2,1-2H3,(H,12,13)(H2,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum IspC expressed in Escherichia coli using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric a...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50028309 (Fosmidomycin Sodium) Show SMILES [Na+].ON(CCCP(O)([O-])=O)C=O Show InChI InChI=1S/C4H10NO5P.Na/c6-4-5(7)2-1-3-11(8,9)10;/h4,7H,1-3H2,(H2,8,9,10);/q;+1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis IspC expressed in Escherichia coli M15 using 1-deoxy-D-xylulose 5-phosphate as substrate by phot...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50153713 (3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...) Show SMILES ON(CCCP(O)(O)=O)C=O Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Lehrstuhl für Biochemie Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis IspC by photometric assay				J Med Chem 56: 8151-62 (2013) Article DOI: 10.1021/jm4012559 BindingDB Entry DOI: 10.7270/Q2JH3NN8
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50441195 (CHEMBL1830119) Show SMILES CN(O)C(=O)CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O Show InChI InChI=1S/C11H14Cl2NO5P/c1-14(16)11(15)5-4-10(20(17,18)19)7-2-3-8(12)9(13)6-7/h2-3,6,10,16H,4-5H2,1H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Lehrstuhl für Biochemie Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis IspC by photometric assay				J Med Chem 56: 8151-62 (2013) Article DOI: 10.1021/jm4012559 BindingDB Entry DOI: 10.7270/Q2JH3NN8
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50441189 (CHEMBL2431003) Show SMILES CN(O)C(=O)CS[C@@H](c1ccccc1)P(O)(O)=O |r| Show InChI InChI=1S/C10H14NO5PS/c1-11(13)9(12)7-18-10(17(14,15)16)8-5-3-2-4-6-8/h2-6,10,13H,7H2,1H3,(H2,14,15,16)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Lehrstuhl für Biochemie Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis IspC by photometric assay				J Med Chem 56: 8151-62 (2013) Article DOI: 10.1021/jm4012559 BindingDB Entry DOI: 10.7270/Q2JH3NN8
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50441193 (CHEMBL2164256) Show SMILES CN(O)C(=O)CCC(c1ccc(C)cc1)P(O)(O)=O Show InChI InChI=1S/C12H18NO5P/c1-9-3-5-10(6-4-9)11(19(16,17)18)7-8-12(14)13(2)15/h3-6,11,15H,7-8H2,1-2H3,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine Universit£t Curated by ChEMBL					Assay Description Inhibition of Escherichia coli M15 recombinant IspC using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric analysis				J Med Chem 57: 8827-38 (2014) Article DOI: 10.1021/jm500850y BindingDB Entry DOI: 10.7270/Q2KP83RX
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50528590 (CHEMBL4447571) Show SMILES Cc1ccc(cc1)C(SCC(=O)NO)P(O)(O)=O Show InChI InChI=1S/C10H14NO5PS/c1-7-2-4-8(5-3-7)10(17(14,15)16)18-6-9(12)11-13/h2-5,10,13H,6H2,1H3,(H,11,12)(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli IspC expressed in Escherichia coli M15 using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric as...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50028364 (CHEMBL3342260) Show SMILES COc1ccc(cc1OC)C(CCC(=O)N(C)O)P(O)(O)=O Show InChI InChI=1S/C13H20NO7P/c1-14(16)13(15)7-6-12(22(17,18)19)9-4-5-10(20-2)11(8-9)21-3/h4-5,8,12,16H,6-7H2,1-3H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine Universit£t Curated by ChEMBL					Assay Description Inhibition of Escherichia coli M15 recombinant IspC using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric analysis				J Med Chem 57: 8827-38 (2014) Article DOI: 10.1021/jm500850y BindingDB Entry DOI: 10.7270/Q2KP83RX
					More data for this Ligand-Target Pair

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