Found 315 hits in this display 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
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 0.00190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of EGCG by dilution assay |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
KEGG
UniProtKB/SwissProt
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| DrugBank PDB
| 0.00700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI
(Staphylococcus aureus) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University
| Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). |
Biochemistry 52: 4217-28 (2013)
Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Francisella tularensis) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
KEGG
UniProtKB/TrEMBL
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| PDB Article PubMed
| 0.0510 | -58.7 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Stony Brook University
| Assay Description Inhibition constant binding to E-NAD+ |
ACS Chem Biol 4: 221-31 (2009)
Article DOI: 10.1021/cb800306y BindingDB Entry DOI: 10.7270/Q2T72FTC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 0.0521 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of ECG by dilution assay |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 0.109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of EGC by dilution assay |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 0.281 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of quercetin by dilution assay |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 0.798 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of butein by dilution assay |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of EGCG |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B10
(Homo sapiens (Human)) | BDBM50241817
(CHEMBL4081954)Show InChI InChI=1S/C19H17NO5/c21-14-6-3-12(4-7-14)2-1-9-20-18(23)16-10-13-5-8-15(22)11-17(13)25-19(16)24/h3-8,10-11,21-22H,1-2,9H2,(H,20,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Competitive inhibition of recombinant human AKR1B10 in presence of geraniol as substrate by Lineweaver-Burk plot method |
J Med Chem 60: 8441-8455 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM23419
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r| Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 4.30 | -47.8 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa... |
Bioorg Med Chem 23: 7219-25 (2015)
Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI
(Staphylococcus aureus) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
KEGG
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| DrugBank PDB
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 7.29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of EGCG |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of ECG |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 8.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of EGC |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of quercetin |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 13.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of butein |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Crete
Curated by ChEMBL
| Assay Description Inhibition of CYP1B1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin |
Bioorg Med Chem 19: 2842-9 (2011)
Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval,
Curated by ChEMBL
| Assay Description Inhibition of CYP1B1 (unknown origin) |
Eur J Med Chem 135: 296-306 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 28.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of ECG |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 30.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of quercetin |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Burkholderia pseudomallei) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | UniProtKB/TrEMBL
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| Article PubMed
| 32 | -42.8 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Stony Brook University
| Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1... |
Biochemistry 56: 1865-1878 (2017)
Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 35 | -42.6 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration ass... |
Bioorg Med Chem 23: 7219-25 (2015)
Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50247677
((3S,8S)-14,16-dihydroxy-3,8-dimethyl-3,4,5,6,9,10-...)Show SMILES C[C@H]1CCCC(=O)[C@@H](C)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |r,t:11| Show InChI InChI=1S/C19H24O5/c1-12-6-3-4-8-14-10-15(20)11-17(22)18(14)19(23)24-13(2)7-5-9-16(12)21/h4,8,10-13,20,22H,3,5-7,9H2,1-2H3/b8-4+/t12-,13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB
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| Article PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Crete
Curated by ChEMBL
| Assay Description Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin |
Bioorg Med Chem 19: 2842-9 (2011)
Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM23419
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r| Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 | PDB MMDB
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| Article PubMed
| 44 | -42.0 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration ass... |
Bioorg Med Chem 23: 7219-25 (2015)
Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
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| MMDB PDB Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
International Centre for Science and High Technology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase expressed in E. coli BL21(DE3) by spectrophotometry |
Eur J Med Chem 44: 3009-19 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.028 BindingDB Entry DOI: 10.7270/Q20K28MM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 52.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of EGC |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM9461
(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 | PDB MMDB
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| Article PubMed
| 53 | -41.5 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration ass... |
Bioorg Med Chem 23: 7219-25 (2015)
Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
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| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 71.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of butein |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM23419
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r| Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 | PDB MMDB
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| Article PubMed
| 80 | -40.5 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa... |
Bioorg Med Chem 23: 7219-25 (2015)
Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB MMDB
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| Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB MMDB
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| Article PubMed
| 171 | -38.6 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa... |
Bioorg Med Chem 23: 7219-25 (2015)
Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
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| DrugBank PDB Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Uncompetitive inhibition of Mycobacterium tuberculosis InhA using trans-2-dodecenoyl-CoA as substrate in presence of NADH |
Eur J Med Chem 146: 318-343 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.047 BindingDB Entry DOI: 10.7270/Q2GF0X12 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
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| DrugBank PDB
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
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| DrugBank PDB
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
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| DrugBank PDB Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis H37RV InhA |
Bioorg Med Chem Lett 18: 3029-33 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.038 BindingDB Entry DOI: 10.7270/Q2SB46KT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
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| DrugBank PDB Article PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis InhA |
Eur J Med Chem 146: 318-343 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.047 BindingDB Entry DOI: 10.7270/Q2GF0X12 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
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| DrugBank PDB Article PubMed
| 220 | -37.6 | n/a | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook
| Assay Description Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat... |
ACS Chem Biol 1: 43-53 (2006)
Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM9461
(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 | PDB MMDB
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| Article PubMed
| 372 | -36.7 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa... |
Bioorg Med Chem 23: 7219-25 (2015)
Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB MMDB
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| Article PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval,
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1A2 expressed in Escherichia coli DH5alpha coexpressing human NADPH-cytochrome P450 reductase in using 7-ethoxyres... |
Eur J Med Chem 135: 296-306 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM7461
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H | PDB MMDB
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| Article PubMed
| 538 | -35.8 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa... |
Bioorg Med Chem 23: 7219-25 (2015)
Article DOI: 10.1016/j.bmc.2015.10.018 BindingDB Entry DOI: 10.7270/Q2862J84 |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM50096619
(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)Show InChI InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3 | PDB MMDB
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| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
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| MMDB PDB Article PubMed
| 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA |
J Med Chem 50: 2665-75 (2007)
Article DOI: 10.1021/jm061257w BindingDB Entry DOI: 10.7270/Q2ZP46X9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50096619
(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)Show InChI InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3 | PDB
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| Article PubMed
| 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Competitive inhibition of G6PD (unknown origin) using glucose-6-phosphate and varying concentrations of NADP+ as substrate by Michaelis-Menten analys... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127905 BindingDB Entry DOI: 10.7270/Q2RF5ZSQ |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM9461
(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 | PDB MMDB
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| Article PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center, Québec, Québec, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval,
Curated by ChEMBL
| Assay Description Inhibition of CYP1B1 in human liver microsomes coexpressing recombinant human cytochrome P450 oxidoreductase using 7-ethoxyresorufin as substrate aft... |
Eur J Med Chem 135: 296-306 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.042 BindingDB Entry DOI: 10.7270/Q26Q20QW |
More data for this Ligand-Target Pair | |
Carbonyl reductase [NADPH] 1
(Homo sapiens (Human)) | BDBM9461
(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate |
Bioorg Med Chem 17: 530-6 (2009)
Article DOI: 10.1016/j.bmc.2008.11.076 BindingDB Entry DOI: 10.7270/Q2SJ1KFH |
More data for this Ligand-Target Pair | |
Multidrug resistance-associated protein 1
(Homo sapiens (Human)) | BDBM23419
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r| Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description Inhibition of MRP1 transfected in human HeLa cells assessed as inhibition of [3H]LTC4 transport by rapid filtration assay |
J Med Chem 52: 5311-22 (2009)
Article DOI: 10.1021/jm900194w BindingDB Entry DOI: 10.7270/Q25B02H5 |
More data for this Ligand-Target Pair | |
Glucose-6-phosphate 1-dehydrogenase
(Homo sapiens (Human)) | BDBM50096619
(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)Show InChI InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Competitive inhibition of G6PD (unknown origin) using varying concentrations of G6P and NADP+ as substrate by Michaelis-Menten analysis |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127905 BindingDB Entry DOI: 10.7270/Q2RF5ZSQ |
More data for this Ligand-Target Pair | |