Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50032428   

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
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329094 ((Z)-methyl 2-(2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-y...) Show SMILES COC(=O)Cc1nc2ccccc2oc1=O Show InChI InChI=1S/C11H9NO4/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329084 ((Z)-methyl 2-(6-fluoro-2-oxo-2H-benzo[b][1,4]oxazi...) Show SMILES COC(=O)Cc1nc2cc(F)ccc2oc1=O Show InChI InChI=1S/C11H8FNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as inhibition of enzyme-substrate com...				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329084 ((Z)-methyl 2-(6-fluoro-2-oxo-2H-benzo[b][1,4]oxazi...) Show SMILES COC(=O)Cc1nc2cc(F)ccc2oc1=O Show InChI InChI=1S/C11H8FNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329085 ((Z)-methyl 2-(6-chloro-2-oxo-2H-benzo[b][1,4]oxazi...) Show SMILES COC(=O)Cc1nc2cc(Cl)ccc2oc1=O Show InChI InChI=1S/C11H8ClNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as inhibition of enzyme-substrate com...				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329085 ((Z)-methyl 2-(6-chloro-2-oxo-2H-benzo[b][1,4]oxazi...) Show SMILES COC(=O)Cc1nc2cc(Cl)ccc2oc1=O Show InChI InChI=1S/C11H8ClNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329094 ((Z)-methyl 2-(2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-y...) Show SMILES COC(=O)Cc1nc2ccccc2oc1=O Show InChI InChI=1S/C11H9NO4/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as inhibition of enzyme-substrate com...				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329094 ((Z)-methyl 2-(2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-y...) Show SMILES COC(=O)Cc1nc2ccccc2oc1=O Show InChI InChI=1S/C11H9NO4/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by double-reciprocal plot analysis				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329087 ((Z)-methyl 2-(6-(ethylsulfonyl)-2-oxo-2H-benzo[b][...) Show SMILES CCS(=O)(=O)c1ccc2oc(=O)c(CC(=O)OC)nc2c1 Show InChI InChI=1S/C13H13NO6S/c1-3-21(17,18)8-4-5-11-9(6-8)14-10(13(16)20-11)7-12(15)19-2/h4-6H,3,7H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by double-reciprocal plot analysis				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329088 ((Z)-methyl 2-(7-methyl-2-oxo-2H-benzo[b][1,4]oxazi...) Show SMILES COC(=O)Cc1nc2ccc(C)cc2oc1=O Show InChI InChI=1S/C12H11NO4/c1-7-3-4-8-10(5-7)17-12(15)9(13-8)6-11(14)16-2/h3-5H,6H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by double-reciprocal plot analysis				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329091 ((Z)-methyl 2-(7-nitro-2-oxo-2H-benzo[b][1,4]oxazin...) Show SMILES COC(=O)Cc1nc2ccc(cc2oc1=O)[N+]([O-])=O Show InChI InChI=1S/C11H8N2O6/c1-18-10(14)5-8-11(15)19-9-4-6(13(16)17)2-3-7(9)12-8/h2-4H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by double-reciprocal plot analysis				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329083 ((Z)-methyl 2-(6-methyl-2-oxo-2H-benzo[b][1,4]oxazi...) Show SMILES COC(=O)Cc1nc2cc(C)ccc2oc1=O Show InChI InChI=1S/C12H11NO4/c1-7-3-4-10-8(5-7)13-9(12(15)17-10)6-11(14)16-2/h3-5H,6H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by double-reciprocal plot analysis				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329082 ((Z)-methyl 2-(5-methyl-2-oxo-2H-benzo[b][1,4]oxazi...) Show SMILES COC(=O)Cc1nc2c(C)cccc2oc1=O Show InChI InChI=1S/C12H11NO4/c1-7-4-3-5-9-11(7)13-8(12(15)17-9)6-10(14)16-2/h3-5H,6H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by double-reciprocal plot analysis				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329084 ((Z)-methyl 2-(6-fluoro-2-oxo-2H-benzo[b][1,4]oxazi...) Show SMILES COC(=O)Cc1nc2cc(F)ccc2oc1=O Show InChI InChI=1S/C11H8FNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by double-reciprocal plot analysis				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329086 ((Z)-methyl 2-(6-nitro-2-oxo-2H-benzo[b][1,4]oxazin...) Show SMILES COC(=O)Cc1nc2cc(ccc2oc1=O)[N+]([O-])=O Show InChI InChI=1S/C11H8N2O6/c1-18-10(14)5-8-11(15)19-9-3-2-6(13(16)17)4-7(9)12-8/h2-4H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by double-reciprocal plot analysis				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329089 ((Z)-methyl 2-(7-fluoro-2-oxo-2H-benzo[b][1,4]oxazi...) Show SMILES COC(=O)Cc1nc2ccc(F)cc2oc1=O Show InChI InChI=1S/C11H8FNO4/c1-16-10(14)5-8-11(15)17-9-4-6(12)2-3-7(9)13-8/h2-4H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by double-reciprocal plot analysis				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329090 ((Z)-methyl 2-(7-chloro-2-oxo-2H-benzo[b][1,4]oxazi...) Show SMILES COC(=O)Cc1nc2ccc(Cl)cc2oc1=O Show InChI InChI=1S/C11H8ClNO4/c1-16-10(14)5-8-11(15)17-9-4-6(12)2-3-7(9)13-8/h2-4H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by double-reciprocal plot analysis				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329085 ((Z)-methyl 2-(6-chloro-2-oxo-2H-benzo[b][1,4]oxazi...) Show SMILES COC(=O)Cc1nc2cc(Cl)ccc2oc1=O Show InChI InChI=1S/C11H8ClNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by double-reciprocal plot analysis				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329092 ((Z)-methyl 2-(3-oxo-3,4-dihydroquinoxalin-2(1H)-yl...) Show SMILES COC(=O)Cc1nc2ccccc2[nH]c1=O Show InChI InChI=1S/C11H10N2O3/c1-16-10(14)6-9-11(15)13-8-5-3-2-4-7(8)12-9/h2-5H,6H2,1H3,(H,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by double-reciprocal plot analysis				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329093 ((Z)-methyl 2-(2-oxo-2H-benzo[b][1,4]thiazin-3(4H)-...) Show SMILES COC(=O)Cc1nc2ccccc2sc1=O Show InChI InChI=1S/C11H9NO3S/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by double-reciprocal plot analysis				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair