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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16298 (5-Octyl-2-phenoxy-phenol | 5-heptyl-2-phenoxylphen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis Enoyl-[acyl-carrier-protein] reductase | J Med Chem 51: 2606-12 (2008) Article DOI: 10.1021/jm070719i BindingDB Entry DOI: 10.7270/Q2S18290 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase (Mycobacterium tuberculosis) | BDBM50339905 (5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE | 5'-O-[...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC | Bioorg Med Chem Lett 21: 2480-3 (2011) Article DOI: 10.1016/j.bmcl.2011.02.042 BindingDB Entry DOI: 10.7270/Q26Q1XKW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase (Mycobacterium tuberculosis) | BDBM50227092 (5-(4-chlorophenyl)-N-((2R,3R,4R,5S,6R)-2-(cyclohex...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis MshB by fluorescence-detected HPLC assay | J Med Chem 50: 6326-36 (2007) Article DOI: 10.1021/jm070669h BindingDB Entry DOI: 10.7270/Q21J99H9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase (Mycobacterium tuberculosis) | BDBM50227091 (CHEMBL239416 | N-((2R,3R,4R,5S,6R)-2-(cyclohexylth...) | 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 |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis MshB by fluorescence-detected HPLC assay | J Med Chem 50: 6326-36 (2007) Article DOI: 10.1021/jm070669h BindingDB Entry DOI: 10.7270/Q21J99H9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase (Mycobacterium tuberculosis) | BDBM50227094 (CHEMBL391010 | N-((2R,3R,4R,5S,6R)-2-(cyclohexylth...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis MshB by fluorescence-detected HPLC assay | J Med Chem 50: 6326-36 (2007) Article DOI: 10.1021/jm070669h BindingDB Entry DOI: 10.7270/Q21J99H9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycothiol S-conjugate amidase (Mycobacterium tuberculosis) | BDBM50227092 (5-(4-chlorophenyl)-N-((2R,3R,4R,5S,6R)-2-(cyclohex...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis MCA by fluorescence-detected HPLC assay | J Med Chem 50: 6326-36 (2007) Article DOI: 10.1021/jm070669h BindingDB Entry DOI: 10.7270/Q21J99H9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycothiol S-conjugate amidase (Mycobacterium tuberculosis) | BDBM50227096 ((E)-N-((2R,3R,4R,5S,6R)-2-(cyclohexylthio)-4,5-dih...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis MCA by fluorescence-detected HPLC assay | J Med Chem 50: 6326-36 (2007) Article DOI: 10.1021/jm070669h BindingDB Entry DOI: 10.7270/Q21J99H9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase (Mycobacterium tuberculosis) | BDBM50227093 (CHEMBL238782 | N-((2R,3R,4R,5S,6R)-2-(cyclohexylth...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.01E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis MshB by fluorescence-detected HPLC assay | J Med Chem 50: 6326-36 (2007) Article DOI: 10.1021/jm070669h BindingDB Entry DOI: 10.7270/Q21J99H9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase (Mycobacterium tuberculosis) | BDBM50227096 ((E)-N-((2R,3R,4R,5S,6R)-2-(cyclohexylthio)-4,5-dih...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis MshB by fluorescence-detected HPLC assay | J Med Chem 50: 6326-36 (2007) Article DOI: 10.1021/jm070669h BindingDB Entry DOI: 10.7270/Q21J99H9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycothiol S-conjugate amidase (Mycobacterium tuberculosis) | BDBM50227093 (CHEMBL238782 | N-((2R,3R,4R,5S,6R)-2-(cyclohexylth...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis MCA by fluorescence-detected HPLC assay | J Med Chem 50: 6326-36 (2007) Article DOI: 10.1021/jm070669h BindingDB Entry DOI: 10.7270/Q21J99H9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycothiol S-conjugate amidase (Mycobacterium tuberculosis) | BDBM50227095 (CHEMBL238991 | tert-butyl 1-((2R,3R,4R,5S,6R)-2-(c...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.45E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis MCA by fluorescence-detected HPLC assay | J Med Chem 50: 6326-36 (2007) Article DOI: 10.1021/jm070669h BindingDB Entry DOI: 10.7270/Q21J99H9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase (Mycobacterium tuberculosis) | BDBM50227095 (CHEMBL238991 | tert-butyl 1-((2R,3R,4R,5S,6R)-2-(c...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis MshB by fluorescence-detected HPLC assay | J Med Chem 50: 6326-36 (2007) Article DOI: 10.1021/jm070669h BindingDB Entry DOI: 10.7270/Q21J99H9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycothiol S-conjugate amidase (Mycobacterium tuberculosis) | BDBM50227094 (CHEMBL391010 | N-((2R,3R,4R,5S,6R)-2-(cyclohexylth...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis MCA by fluorescence-detected HPLC assay | J Med Chem 50: 6326-36 (2007) Article DOI: 10.1021/jm070669h BindingDB Entry DOI: 10.7270/Q21J99H9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycothiol S-conjugate amidase (Mycobacterium tuberculosis) | BDBM50227091 (CHEMBL239416 | N-((2R,3R,4R,5S,6R)-2-(cyclohexylth...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis MCA by fluorescence-detected HPLC assay | J Med Chem 50: 6326-36 (2007) Article DOI: 10.1021/jm070669h BindingDB Entry DOI: 10.7270/Q21J99H9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase (Mycobacterium tuberculosis) | BDBM50339907 (((S)-2-amino-3-carboxypropanoyl)(((2R,3S,4R,5R)-5-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC | Bioorg Med Chem Lett 21: 2480-3 (2011) Article DOI: 10.1016/j.bmcl.2011.02.042 BindingDB Entry DOI: 10.7270/Q26Q1XKW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase (Mycobacterium tuberculosis) | BDBM50129555 ((1R,2R)-2-((4E,6Z)-(2S,8R,9S,11R,13S,15S,16S)-7-cy...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC | Bioorg Med Chem Lett 21: 2480-3 (2011) Article DOI: 10.1016/j.bmcl.2011.02.042 BindingDB Entry DOI: 10.7270/Q26Q1XKW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase (Mycobacterium tuberculosis) | BDBM50269998 ((S)-2-((R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochr...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC | Bioorg Med Chem Lett 21: 2480-3 (2011) Article DOI: 10.1016/j.bmcl.2011.02.042 BindingDB Entry DOI: 10.7270/Q26Q1XKW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase (Mycobacterium tuberculosis) | BDBM50339908 (CHEMBL1191824 | [(1R,2S)-2-aminocyclopentane-1-car...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >4.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC | Bioorg Med Chem Lett 21: 2480-3 (2011) Article DOI: 10.1016/j.bmcl.2011.02.042 BindingDB Entry DOI: 10.7270/Q26Q1XKW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase (Mycobacterium tuberculosis) | BDBM50339906 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 5.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC | Bioorg Med Chem Lett 21: 2480-3 (2011) Article DOI: 10.1016/j.bmcl.2011.02.042 BindingDB Entry DOI: 10.7270/Q26Q1XKW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase (Mycobacterium tuberculosis) | BDBM50290686 (9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >5.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC | Bioorg Med Chem Lett 21: 2480-3 (2011) Article DOI: 10.1016/j.bmcl.2011.02.042 BindingDB Entry DOI: 10.7270/Q26Q1XKW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase (Mycobacterium tuberculosis) | BDBM50339905 (5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE | 5'-O-[...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 48.5 | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis recombinant MBP-tagged MshC by isothermal titration calorimetry assay | Bioorg Med Chem Lett 21: 2480-3 (2011) Article DOI: 10.1016/j.bmcl.2011.02.042 BindingDB Entry DOI: 10.7270/Q26Q1XKW | |||||||||||
More data for this Ligand-Target Pair |