Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM17636 (2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 140 | -9.50 | n/a | n/a | n/a | n/a | n/a | 7.0 | 30 |
The University of Birmingham | Assay Description A fluorescence assay was used to determine the kinetic constants for the oxidation of 3alpha-androstanediol. The fluorescence emission of NADPH at 45... | Cancer Res 64: 1802-10 (2004) Article DOI: 10.1158/0008-5472.can-03-2847 BindingDB Entry DOI: 10.7270/Q2JS9NPR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 270 | -9.10 | n/a | n/a | n/a | n/a | n/a | 7.0 | 30 |
The University of Birmingham | Assay Description A fluorescence assay was used to determine the kinetic constants for the oxidation of 3alpha-androstanediol. The fluorescence emission of NADPH at 45... | Cancer Res 64: 1802-10 (2004) Article DOI: 10.1158/0008-5472.can-03-2847 BindingDB Entry DOI: 10.7270/Q2JS9NPR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2.10E+3 | -7.87 | n/a | n/a | n/a | n/a | n/a | 7.0 | 30 |
The University of Birmingham | Assay Description Enzyme activity was measured in the reductive direction against varying concentrations of androsterone. Initial velocities were measured by observing... | Cancer Res 64: 1802-10 (2004) Article DOI: 10.1158/0008-5472.can-03-2847 BindingDB Entry DOI: 10.7270/Q2JS9NPR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM17636 (2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 3.10E+3 | -7.64 | n/a | n/a | n/a | n/a | n/a | 7.0 | 30 |
The University of Birmingham | Assay Description Enzyme activity was measured in the reductive direction against varying concentrations of androsterone. Initial velocities were measured by observing... | Cancer Res 64: 1802-10 (2004) Article DOI: 10.1158/0008-5472.can-03-2847 BindingDB Entry DOI: 10.7270/Q2JS9NPR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134362 (5-(4'-Benzyloxymethyl-biphenyl-4-ylmethyl)-4-hydro...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134348 (4-Hydroxy-5-(4'-hydroxymethyl-biphenyl-4-ylmethyl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134356 (5-(4'-tert-Butyl-biphenyl-4-ylmethyl)-4-hydroxy-3,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134352 (4'-(3-Hydroxy-2,4-dimethyl-5-oxo-2,5-dihydro-thiop...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134355 (5-(4-tert-Butyl-benzyl)-4-hydroxy-3,5-dimethyl-5H-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134361 (5-Biphenyl-4-ylmethyl-4-hydroxy-3,5-dimethyl-5H-th...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134351 (4-Hydroxy-3,5-dimethyl-5-(3-phenoxy-benzyl)-5H-thi...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134360 (4-Hydroxy-3,5-dimethyl-5-(4'-methyl-biphenyl-4-ylm...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134363 (4-Hydroxy-3,5-dimethyl-5-((Z)-2-methyl-buta-1,3-di...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134358 (3,5-dimethyl-4-hydroxy-5-(4-methylbenzyl)-5H-thiop...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.12E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134349 (CHEMBL124117 | N-[4'-(3-Hydroxy-2,4-dimethyl-5-oxo...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 1.19E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134354 (4-Hydroxy-5-(4-iodo-benzyl)-3,5-dimethyl-5H-thioph...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.53E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134359 (3,5-dimethyl-4-hydroxy-5-(4-methoxybenzyl)-5H-thio...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.55E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134347 (5-Biphenyl-3-ylmethyl-4-hydroxy-3,5-dimethyl-5H-th...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.15E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134357 (5-(2,4-Difluoro-benzyl)-4-hydroxy-3,5-dimethyl-5H-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.46E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134350 (5-Benzyl-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134353 (5-(3,5-Difluoro-benzyl)-4-hydroxy-3,5-dimethyl-5H-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.63E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50134346 (3,5-dimethyl-4-hydroxy-5-(3-methoxybenzyl)-5H-thio...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human)) | BDBM50127646 (CHEMBL42577 | Phosphoric acid 4-amino-phenyl ester...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 1.28E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description Inhibitory activity against human serum paraoxonase (PON1) | Bioorg Med Chem Lett 13: 1623-6 (2003) BindingDB Entry DOI: 10.7270/Q23B60P7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human)) | BDBM14675 (CHEMBL26128 | Fragment 5 | Phenylphosphate | pheno...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 3.25E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description Inhibitory activity against human serum paraoxonase (PON1) | Bioorg Med Chem Lett 13: 1623-6 (2003) BindingDB Entry DOI: 10.7270/Q23B60P7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human)) | BDBM50127647 (CHEMBL296745 | Phosphoric acid diethyl ester pheny...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 3.27E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description Inhibitory activity against human serum paraoxonase (PON1) | Bioorg Med Chem Lett 13: 1623-6 (2003) BindingDB Entry DOI: 10.7270/Q23B60P7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human)) | BDBM24514 (4-nitrophenoxyphosphonic acid | 4-nitrophenyl phos...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.85E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description Inhibitory activity against human serum paraoxonase (PON1) | Bioorg Med Chem Lett 13: 1623-6 (2003) BindingDB Entry DOI: 10.7270/Q23B60P7 | |||||||||||
More data for this Ligand-Target Pair |