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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137070 ((1R,4R,5R)-1,5-Dihydroxy-4-(2-nitro-benzyloxy)-cyc...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137066 ((1R,4R,5R)-4,5-Dihydroxy-1-(2-nitro-benzyloxy)-cyc...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137053 ((1R,4R,5R)-4-(4-Fluoro-benzyloxy)-1,5-dihydroxy-cy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | 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 |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Escherichia coli (strain K12)) | BDBM50086505 (2-Fluoro-1,4,5-trihydroxy-3-oxo-cyclohexanecarboxy...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Chemical Laboratory Curated by ChEMBL | Assay Description Tested for the binding affinity against dehydroquinase | Bioorg Med Chem Lett 10: 407-9 (2000) BindingDB Entry DOI: 10.7270/Q2ST7QBV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137056 (4-((1R,4R,6R)-4-Carboxy-4,6-dihydroxy-cyclohex-2-e...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137068 ((1R,4R,5R)-4-(2-Fluoro-benzyloxy)-1,5-dihydroxy-cy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137055 ((1R,4R,5R)-4-(3-Fluoro-benzyloxy)-1,5-dihydroxy-cy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137059 (4-((1R,4R,5R)-1-Carboxy-4,5-dihydroxy-cyclohex-2-e...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137067 ((1R,4R,5R)-4-Benzyloxy-1,5-dihydroxy-cyclohex-2-en...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137054 ((1R,4R,5R)-1,5-Dihydroxy-4-(4-nitro-benzyloxy)-cyc...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137062 ((1R,4R,5R)-1-(2-Fluoro-benzyloxy)-4,5-dihydroxy-cy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137060 ((1R,4R,5R)-4-(4-Cyano-benzyloxy)-1,5-dihydroxy-cyc...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137063 ((1R,4R,5R)-1-(4-Fluoro-benzyloxy)-4,5-dihydroxy-cy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137057 ((1R,4R,5R)-1-Benzyloxy-4,5-dihydroxy-cyclohex-2-en...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137065 ((1R,4R,5R)-1-(3-Fluoro-benzyloxy)-4,5-dihydroxy-cy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137069 ((1R,4R,5R)-1-(4-Cyano-benzyloxy)-4,5-dihydroxy-cyc...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137061 ((1R,4R,5R)-4,5-Dihydroxy-1-(4-nitro-benzyloxy)-cyc...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137064 ((1R,4R,5R)-4,5-Dihydroxy-1-(4-hydroxymethyl-benzyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.33E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50137058 ((1R,4R,5R)-1,5-Dihydroxy-4-(4-hydroxymethyl-benzyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase. | J Med Chem 46: 5735-44 (2003) Article DOI: 10.1021/jm030987q BindingDB Entry DOI: 10.7270/Q2ZS2VW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Escherichia coli (strain K12)) | BDBM50086504 (2-Bromo-1,4,5-trihydroxy-3-oxo-cyclohexanecarboxyl...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | 3.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Chemical Laboratory Curated by ChEMBL | Assay Description Tested for the binding affinity against dehydroquinase | Bioorg Med Chem Lett 10: 407-9 (2000) BindingDB Entry DOI: 10.7270/Q2ST7QBV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50182477 (CHEMBL202311 | N-TETRAZOL-5-YL 9-OXO-9H-XANTHENE-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 2.30E+5 | n/a | n/a | n/a | n/a | n/a |
University of Glasgow Curated by ChEMBL | Assay Description Binding affinity for Streptomyces coelicolor DHQase 2 | J Med Chem 49: 1282-90 (2006) Article DOI: 10.1021/jm0505361 BindingDB Entry DOI: 10.7270/Q27P8XZF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM50170812 ((1R,4R,5R)-1,4,5-Trihydroxy-cyclohex-2-enecarboxyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of Glasgow Curated by ChEMBL | Assay Description Binding affinity for Streptomyces coelicolor DHQase 2 | J Med Chem 49: 1282-90 (2006) Article DOI: 10.1021/jm0505361 BindingDB Entry DOI: 10.7270/Q27P8XZF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
3-dehydroquinate dehydratase (Helicobacter pylori) | BDBM14672 (2-hydroxypropane-1,2,3-tricarboxylic acid | CHEMBL...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a |
University of Glasgow Curated by ChEMBL | Assay Description Binding affinity for Helicobacter pylori DHQase 2 | J Med Chem 49: 1282-90 (2006) Article DOI: 10.1021/jm0505361 BindingDB Entry DOI: 10.7270/Q27P8XZF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
3-dehydroquinate dehydratase (Mycobacterium tuberculosis) | BDBM50170812 ((1R,4R,5R)-1,4,5-Trihydroxy-cyclohex-2-enecarboxyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a |
University of Glasgow Curated by ChEMBL | Assay Description Binding affinity for Mycobacterium tuberculosis DHQase 2 | J Med Chem 49: 1282-90 (2006) Article DOI: 10.1021/jm0505361 BindingDB Entry DOI: 10.7270/Q27P8XZF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
3-dehydroquinate dehydratase (Streptomyces coelicolor) | BDBM14672 (2-hydroxypropane-1,2,3-tricarboxylic acid | CHEMBL...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a |
University of Glasgow Curated by ChEMBL | Assay Description Binding affinity for Streptomyces coelicolor DHQase 2 | J Med Chem 49: 1282-90 (2006) Article DOI: 10.1021/jm0505361 BindingDB Entry DOI: 10.7270/Q27P8XZF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chorismate synthase (Streptococcus pneumoniae) | BDBM50421345 (E101a | RIBOFLAVIN 5'-PHOSPHATE | Riboflavin 5''-P...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid PDB UniChem Similars | PDB Article | n/a | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for the binding affinity towards Escherichia coli chorismate synthase | Bioorg Med Chem Lett 3: 1409-1414 (1993) Article DOI: 10.1016/S0960-894X(01)80421-2 BindingDB Entry DOI: 10.7270/Q2QN67ZD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
3-dehydroquinate dehydratase (Helicobacter pylori) | BDBM50170812 ((1R,4R,5R)-1,4,5-Trihydroxy-cyclohex-2-enecarboxyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 3.70E+5 | n/a | n/a | n/a | n/a | n/a |
University of Glasgow Curated by ChEMBL | Assay Description Binding affinity for Helicobacter pylori DHQase 2 | J Med Chem 49: 1282-90 (2006) Article DOI: 10.1021/jm0505361 BindingDB Entry DOI: 10.7270/Q27P8XZF | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
3-dehydroquinate dehydratase (Helicobacter pylori) | BDBM50182477 (CHEMBL202311 | N-TETRAZOL-5-YL 9-OXO-9H-XANTHENE-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid UniChem | MMDB Article PubMed | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of Glasgow Curated by ChEMBL | Assay Description Binding affinity for Helicobacter pylori DHQase 2 | J Med Chem 49: 1282-90 (2006) Article DOI: 10.1021/jm0505361 BindingDB Entry DOI: 10.7270/Q27P8XZF | |||||||||||
More data for this Ligand-Target Pair |