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BDBM80483 1-(1-cyclohex-3-enylmethoxy)-3-(2-ethyl-3-methyl-1-benzimidazol-3-iumyl)-2-propanol;iodide::1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)propan-2-ol;iodide::1-(cyclohex-3-en-1-ylmethoxy)-3-(2-ethyl-3-methylbenzimidazol-3-ium-1-yl)propan-2-ol;iodide::MLS000688171::SMR000283816::cid_16192753

SMILES: CCc1n(CC(O)COCC2CCC=CC2)c2ccccc2[n+]1C

InChI Key: InChIKey=DNWJWTMARZAQCW-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 = 80483   
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))
BDBM80483
PNG
(1-(1-cyclohex-3-enylmethoxy)-3-(2-ethyl-3-methyl-1...)
Show SMILES CCc1n(CC(O)COCC2CCC=CC2)c2ccccc2[n+]1C |c:13|
Show InChI InChI=1S/C20H29N2O2/c1-3-20-21(2)18-11-7-8-12-19(18)22(20)13-17(23)15-24-14-16-9-5-4-6-10-16/h4-5,7-8,11-12,16-17,23H,3,6,9-10,13-15H2,1-2H3/q+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.70E+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))
BDBM80483
PNG
(1-(1-cyclohex-3-enylmethoxy)-3-(2-ethyl-3-methyl-1...)
Show SMILES CCc1n(CC(O)COCC2CCC=CC2)c2ccccc2[n+]1C |c:13|
Show InChI InChI=1S/C20H29N2O2/c1-3-20-21(2)18-11-7-8-12-19(18)22(20)13-17(23)15-24-14-16-9-5-4-6-10-16/h4-5,7-8,11-12,16-17,23H,3,6,9-10,13-15H2,1-2H3/q+1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.93E+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