Found 9 hits Enzyme Inhibition Constant Data 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 |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(230/231 > 99%)† (Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB MMDB
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| DrugBank MMDB PDB PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Chemical Industries, Ltd.
Curated by ChEMBL
| Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to melatonin receptor 3 (MT3) of Syrian hamster brain. |
J Med Chem 45: 4212-21 (2002)
BindingDB Entry DOI: 10.7270/Q2J102HG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(230/231 > 99%)† (Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB MMDB
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| DrugBank MMDB PDB PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Chimie Pharmaceutique Albert Lespagnol
Curated by ChEMBL
| Assay Description Inhibition of 2-[125I]iodomelatonin binding to Melatonin receptor 3 (MT3) of Syrian hamster brain membrane |
J Med Chem 45: 1853-9 (2002)
BindingDB Entry DOI: 10.7270/Q2V69HX5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(230/231 > 99%)† (Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 64.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells |
Eur J Med Chem 43: 2861-9 (2008)
Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(230/231 > 99%)† (Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France
Curated by ChEMBL
| Assay Description Binding affinity to human MT3 receptor |
Eur J Med Chem 46: 1622-9 (2011)
Article DOI: 10.1016/j.ejmech.2011.02.010 BindingDB Entry DOI: 10.7270/Q2PZ594W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(230/231 > 99%)† (Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lomonosov Moscow State University
Curated by ChEMBL
| Assay Description Inhibition of QR2 (unknown origin) using MTT and NMeH as substrates |
Bioorg Med Chem Lett 27: 3787-3793 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.065 BindingDB Entry DOI: 10.7270/Q27D2XMX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(230/231 > 99%)† (Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Moscow State University
Curated by ChEMBL
| Assay Description Binding affinity to quinine reductase 2 using MTT and NMeH as substrates |
Bioorg Med Chem Lett 22: 7578-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.005 BindingDB Entry DOI: 10.7270/Q2K64K66 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(230/231 > 99%)† (Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Moscow State University
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant quinine reductase 2 expressed in Escherichia coli BL21 (DE3) using menadione and NMeH as substrates |
Bioorg Med Chem Lett 22: 7578-81 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.005 BindingDB Entry DOI: 10.7270/Q2K64K66 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(230/231 > 99%)† (Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | 8.0 | 25 |
University of Illinois at Chicago
| Assay Description The activity of recombinant human QR2 under steady-state conditions was evaluated on a MolecularDevices SpectraMax Plus 384 UV-visible spectrophotome... |
Biochem J 413: 81-91 (2008)
Article DOI: 10.1042/BJ20071373 BindingDB Entry DOI: 10.7270/Q2Z036G6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(230/231 > 99%)† (Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | 7.5 | 23 |
Purdue University
| Assay Description The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba... |
J Med Chem 52: 1873-84 (2009)
Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |