Reaction Details Report a problem with these data
Target
Ribosyldihydronicotinamide dehydrogenase [quinone]
Ligand
BDBM9019
Substrate
BDBM29211
Meas. Tech.
QR2 Assay and IC50 Value Determination
pH
7.5±n/a
Temperature
296.15±n/a K
IC50
11300±2100 nM
Citation
Maiti, A; Reddy, PV; Sturdy, M; Marler, L; Pegan, SD; Mesecar, AD; Pezzuto, JM; Cushman, M Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J Med Chem 52:1873-84 (2009) [PubMed] Article
Target
Name:
Ribosyldihydronicotinamide dehydrogenase [quinone]
Synonyms:
Metallothionein-3 | NMOR2 | NQO2 | NQO2_HUMAN | NRH dehydrogenase [quinone] 2 | NRH:quinone oxidoreductase 2 | QR2 | Quinone reductase 2 | Quinone reductase 2 (NQO2) | Ribosyldihydronicotinamide dehydrogenase [quinone]
Type:
Protein
Mol. Mass.:
25917.25
Organism:
Human
Description:
P16083
Residue:
231
Sequence:
MAGKKVLIVYAHQEPKSFNGSLKNVAVDELSRQGCTVTVSDLYAMNLEPRATDKDITGTLSNPEVFNYGVETHEAYKQRSLASDITDEQKKVREADLVIFQFPLYWFSVPAILKGWMDRVLCQGFAFDIPGFYDSGLLQGKLALLSVTTGGTAEMYTKTGVNGDSRYFLWPLQHGTLHFCGFKVLAPQISFAPEIASEEERKGMVAAWSQRLQTIWKEEPIPCTAHWHFGQ
Inhibitor
Name:
BDBM9019
Synonyms:
CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
Type:
Small organic molecule
Emp. Form.:
C13H16N2O2
Mol. Mass.:
232.2783
SMILES:
COc1ccc2[nH]cc(CCNC(C)=O)c2c1