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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 84138   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
drug resistance protein 1 (Candida albicans)	BDBM84138 (3-cyclohexyl-1-[[(2S,3S)-10-[(4-methoxyphenyl)carb...) Show SMILES COc1ccc(NC(=O)Nc2cccc3c2O[C@H](CN(C)C(=O)NC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 Show InChI InChI=1S/C31H43N5O6/c1-20-17-36(21(2)19-37)29(38)25-11-8-12-26(34-30(39)32-23-13-15-24(41-4)16-14-23)28(25)42-27(20)18-35(3)31(40)33-22-9-6-5-7-10-22/h8,11-16,20-22,27,37H,5-7,9-10,17-19H2,1-4H3,(H,33,40)(H2,32,34,39)/t20-,21+,27+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.86E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q24M932M
					More data for this Ligand-Target Pair