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BDBM80392 1-phenyl-1-cyclopentanecarboxylic acid 3-(4-methyl-4-morpholin-4-iumyl)propyl ester;iodide::1-phenylcyclopentanecarboxylic acid 3-(4-methylmorpholin-4-ium-4-yl)propyl ester;iodide::3-(4-methylmorpholin-4-ium-4-yl)propyl 1-phenylcyclopentane-1-carboxylate;iodide::MLS000519370::SMR000129789::cid_9550057

SMILES: C[N+]1(CCCOC(=O)C2(CCCC2)c2ccccc2)CCOCC1

InChI Key: InChIKey=XPMQTSQXLSWAAZ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 80392   
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
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80392
PNG
(1-phenyl-1-cyclopentanecarboxylic acid 3-(4-methyl...)
Show SMILES C[N+]1(CCCOC(=O)C2(CCCC2)c2ccccc2)CCOCC1
Show InChI InChI=1S/C20H30NO3/c1-21(13-16-23-17-14-21)12-7-15-24-19(22)20(10-5-6-11-20)18-8-3-2-4-9-18/h2-4,8-9H,5-7,10-17H2,1H3/q+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.99E+3n/an/an/an/an/a25



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 (2011)


BindingDB Entry DOI: 10.7270/Q2862DX0
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80392
PNG
(1-phenyl-1-cyclopentanecarboxylic acid 3-(4-methyl...)
Show SMILES C[N+]1(CCCOC(=O)C2(CCCC2)c2ccccc2)CCOCC1
Show InChI InChI=1S/C20H30NO3/c1-21(13-16-23-17-14-21)12-7-15-24-19(22)20(10-5-6-11-20)18-8-3-2-4-9-18/h2-4,8-9H,5-7,10-17H2,1H3/q+1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.61E+3n/an/an/an/an/a25



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 (2011)


BindingDB Entry DOI: 10.7270/Q24F1P6P
More data for this
Ligand-Target Pair