Reaction Details Report a problem with these data
Target
Multidrug efflux pump
Ligand
BDBM84142
Substrate
n/a
Meas. Tech.
Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Mdr1 with Hit compounds from Cherry Pick1
EC50
10±n/a nM
Citation
 PubChem, PC Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Mdr1 with Hit compounds from Cherry Pick1 PubChem Bioassay (2011)[AID] 
Target
Name:
Multidrug efflux pump
Synonyms:
Candida albicans strain ATCC 10261 multidrug efflux pump (MDR1) gene, MDR1-A allele, complete cds
Type:
Enzyme Catalytic Domain
Mol. Mass.:
62915.82
Organism:
Candida albicans
Description:
Q09GR2
Residue:
564
Sequence:
MHYRFLRDSFVGRVTYHLSKHKYFAHPEEAKDYIVPEKYLADYKPTLADDTSINFEKEEIDNQGEPNSSQSSSSNNTIVDNNNNNDNDVDGDKIVVTWDGDDDPENPQNWPTLQKAFFIFQISFLTTSVYMGSAVYTPGIEELMHDFGIGRVVATLPLTLFVIGYGVGPLVFSPMSENAIFGRTSIYIITLFLFVILQIPTALVNNIAGLCILRFLGGFFASPCLATGGASVADVVKFWNLPVGLAAWSLGAVCGPSFGPFFGSILTVKASWRWTFWFMCIISGFSFVMLCFTLPETFGKTLLYRKAKRLRAITGNDRITSEGEIENSKMTSHELIIDTLWRPLEITVMEPVVLLINIYIAMVYSILYLFFEVFPIYFVGVKHFTLVELGTTYMSIVIGIVIAAFIYIPVIRQKFTKPILRQEQVFPEVFIPIAIVGGILLTSGLFIFGWSANRTTHWVGPLFGAATTASGAFLIFQTLFNFMGASFKPHYIASVFASNDLFRSVIASVFPLFGAPLFDNLATPEYPVAWGSSVLGFITLVMIAIPVLFYLNGPKLRARSKYAN
  
Inhibitor
Name:
BDBM84142
Synonyms:
3-(2,6-dimethylphenyl)-2-[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-quinazolin-4-one | 3-(2,6-dimethylphenyl)-2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylquinazolin-4-one | 3-(2,6-dimethylphenyl)-2-[[2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl]thio]quinazolin-4-one | 3-(2,6-dimethylphenyl)-2-[[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]thio]-4-quinazolinone | MLS000390600 | SMR000259639 | cid_2107670
Type:
Small organic molecule
Emp. Form.:
C26H22N4O3S
Mol. Mass.:
470.543
SMILES:
Cc1cccc(C)c1-n1c(SCC(=O)N2CC(=O)Nc3ccccc23)nc2ccccc2c1=O |(7.18,-2.02,;7.18,-3.56,;5.85,-4.33,;5.85,-5.87,;7.18,-6.64,;8.52,-5.87,;9.85,-6.64,;8.52,-4.33,;9.85,-3.56,;9.85,-2.02,;8.52,-1.25,;8.52,.29,;7.18,1.06,;5.85,.29,;7.18,2.6,;8.52,3.37,;8.52,4.91,;9.85,5.68,;7.18,5.68,;5.85,4.91,;4.47,5.74,;3.08,4.94,;3.08,3.34,;4.47,2.55,;5.85,3.37,;11.19,-1.25,;12.52,-2.02,;13.9,-1.19,;15.29,-1.99,;15.29,-3.59,;13.9,-4.38,;12.52,-3.56,;11.19,-4.33,;11.19,-5.87,)|
Structure:
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