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BDBM64911 4-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)methyl]-1-piperazinecarboxylic acid ethyl ester::4-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)methyl]piperazine-1-carboxylic acid ethyl ester::MLS000039617::SMR000035251::cid_666088::ethyl 4-[(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)methyl]piperazine-1-carboxylate::ethyl 4-[[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazine-1-carboxylate

SMILES: CCCCn1c(CN2CCN(CC2)C(=O)OCC)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=QZMDMCLAIWFBTO-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 64911   
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)
BDBM64911
PNG
(4-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)methy...)
Show SMILES CCCCn1c(CN2CCN(CC2)C(=O)OCC)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H30N6O4/c1-5-7-8-25-14(13-23-9-11-24(12-10-23)19(28)29-6-2)20-16-15(25)17(26)22(4)18(27)21(16)3/h5-13H2,1-4H3
PDB
MMDB

B.MOAD
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PC cid
PC sid
UniChem

Similars

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