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BDBM64887 MLS000070560::N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[4-phenyl-5-(m-tolylamino-methyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide::N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(m-toluidinomethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide::N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide::N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide::N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[[(3-methylphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide::SMR000001656::cid_652364

SMILES: CCc1nnc(NC(=O)CSc2nnc(CNc3cccc(C)c3)n2-c2ccccc2)s1

InChI Key: InChIKey=QAVVDAIRFDVBCT-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 64887   
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
heat shock protein 90


(Candida albicans)
BDBM64887
PNG
(MLS000070560 | N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-...)
Show SMILES CCc1nnc(NC(=O)CSc2nnc(CNc3cccc(C)c3)n2-c2ccccc2)s1
Show InChI InChI=1S/C22H23N7OS2/c1-3-20-26-27-21(32-20)24-19(30)14-31-22-28-25-18(29(22)17-10-5-4-6-11-17)13-23-16-9-7-8-15(2)12-16/h4-12,23H,3,13-14H2,1-2H3,(H,24,27,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair