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SMILES: COc1cc2c(cc1NC(=O)CSc1nnc(Cc3cccs3)n1Cc1ccco1)oc1ccccc21

InChI Key: InChIKey=ICELXSWPQPRVGF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 84139   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84139
PNG
(2-[[4-(2-furanylmethyl)-5-(thiophen-2-ylmethyl)-1,...)
Show SMILES COc1cc2c(cc1NC(=O)CSc1nnc(Cc3cccs3)n1Cc1ccco1)oc1ccccc21
Show InChI InChI=1S/C27H22N4O4S2/c1-33-24-13-20-19-8-2-3-9-22(19)35-23(20)14-21(24)28-26(32)16-37-27-30-29-25(12-18-7-5-11-36-18)31(27)15-17-6-4-10-34-17/h2-11,13-14H,12,15-16H2,1H3,(H,28,32)
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n/an/an/an/a 11n/an/an/an/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