BDBM84138 3-cyclohexyl-1-[[(2S,3S)-10-[(4-methoxyphenyl)carbamoylamino]-3-methyl-6-oxidanylidene-5-[(2R)-1-oxidanylpropan-2-yl]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-urea::3-cyclohexyl-1-[[(2S,3S)-5-[(1R)-2-hydroxy-1-methyl-ethyl]-6-keto-10-[(4-methoxyphenyl)carbamoylamino]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-urea::3-cyclohexyl-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-10-[(4-methoxyphenyl)carbamoylamino]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea::3-cyclohexyl-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-10-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea::MLS002474356::SMR001398517::cid_44202009

SMILES COc1ccc(NC(=O)Nc2cccc3c2O[C@H](CN(C)C(=O)NC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1

InChI Key InChIKey=DRXPWQRVAYGNJZ-FYQCMVGJSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 84138   

TargetMultidrug resistance protein CDR1(Candida albicans)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM84138(3-cyclohexyl-1-[[(2S,3S)-10-[(4-methoxyphenyl)carb...)
Affinity DataEC50:  8.86E+3nMAssay Description:UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay