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BDBM84143 3-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazole::5-(2,3-dimethoxyphenyl)-3-phenyl-1-tosyl-2-pyrazoline::MLS000680475::SMR000324612::cid_5052359

SMILES: COc1cccc(C2CC(=NN2S(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1OC

InChI Key: InChIKey=QQPYSSRVXYDNEL-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 84143   
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
Candida albicans strain ATCC 10261 multidrug efflux pump (MDR1) gene, MDR1-A allele, complete cds


(Candida albicans)
BDBM84143
PNG
(3-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl...)
Show SMILES COc1cccc(C2CC(=NN2S(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1OC |c:9|
Show InChI InChI=1S/C24H24N2O4S/c1-17-12-14-19(15-13-17)31(27,28)26-22(16-21(25-26)18-8-5-4-6-9-18)20-10-7-11-23(29-2)24(20)30-3/h4-15,22H,16H2,1-3H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.58E+3n/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/Q20V8B9F
More data for this
Ligand-Target Pair