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BDBM65186 Dodecyl-dimethyl-prop-2-ynyl-ammonium::MLS000590476::SMR000217471::cid_12005722::dodecyl-dimethyl-prop-2-ynyl-azanium;bromide::dodecyl-dimethyl-prop-2-ynylammonium;bromide::dodecyl-dimethyl-prop-2-ynylazanium;bromide::lauryl-dimethyl-propargyl-ammonium;bromide

SMILES: CCCCCCCCCCCC[N+](C)(C)CC#C

InChI Key: InChIKey=XSJWTEZTQHSADD-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 65186   
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)
BDBM65186
PNG
(Dodecyl-dimethyl-prop-2-ynyl-ammonium | MLS0005904...)
Show SMILES CCCCCCCCCCCC[N+](C)(C)CC#C
Show InChI InChI=1S/C17H34N/c1-5-7-8-9-10-11-12-13-14-15-17-18(3,4)16-6-2/h2H,5,7-17H2,1,3-4H3/q+1
UniProtKB/TrEMBL

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PC sid
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n/an/an/an/a 312n/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
Protein Wnt-3a


(Mus musculus)
BDBM65186
PNG
(Dodecyl-dimethyl-prop-2-ynyl-ammonium | MLS0005904...)
Show SMILES CCCCCCCCCCCC[N+](C)(C)CC#C
Show InChI InChI=1S/C17H34N/c1-5-7-8-9-10-11-12-13-14-15-17-18(3,4)16-6-2/h2H,5,7-17H2,1,3-4H3/q+1
PDB

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KEGG

UniProtKB/SwissProt

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n/an/a 279n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q25B012X
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM65186
PNG
(Dodecyl-dimethyl-prop-2-ynyl-ammonium | MLS0005904...)
Show SMILES CCCCCCCCCCCC[N+](C)(C)CC#C
Show InChI InChI=1S/C17H34N/c1-5-7-8-9-10-11-12-13-14-15-17-18(3,4)16-6-2/h2H,5,7-17H2,1,3-4H3/q+1
PDB
MMDB

B.MOAD
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n/an/a 2.51E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair