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BDBM54801 (4-benzoxy-3-chloro-5-ethoxy-benzyl)-cyclopentyl-amine;hydrochloride::MLS000580528::N-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]cyclopentanamine;hydrochloride::N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride::N-[4-(benzyloxy)-3-chloro-5-ethoxybenzyl]cyclopentanamine hydrochloride::SMR000199416::cid_2950681

SMILES: CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccccc1

InChI Key: InChIKey=OXBGNWDZXDFSIY-UHFFFAOYSA-N

Data: 4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 54801   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54801
PNG
((4-benzoxy-3-chloro-5-ethoxy-benzyl)-cyclopentyl-a...)
Show SMILES CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccccc1
Show InChI InChI=1S/C21H26ClNO2/c1-2-24-20-13-17(14-23-18-10-6-7-11-18)12-19(22)21(20)25-15-16-8-4-3-5-9-16/h3-5,8-9,12-13,18,23H,2,6-7,10-11,14-15H2,1H3
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PCBioAssay
n/an/a 2.57E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Protein HSP-16.2


(Caenorhabditis elegans)
BDBM54801
PNG
((4-benzoxy-3-chloro-5-ethoxy-benzyl)-cyclopentyl-a...)
Show SMILES CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccccc1
Show InChI InChI=1S/C21H26ClNO2/c1-2-24-20-13-17(14-23-18-10-6-7-11-18)12-19(22)21(20)25-15-16-8-4-3-5-9-16/h3-5,8-9,12-13,18,23H,2,6-7,10-11,14-15H2,1H3
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n/an/a>6.40E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q21J98BN
More data for this
Ligand-Target Pair
SKiNhead family member (skn-1)


(Caenorhabditis elegans)
BDBM54801
PNG
((4-benzoxy-3-chloro-5-ethoxy-benzyl)-cyclopentyl-a...)
Show SMILES CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccccc1
Show InChI InChI=1S/C21H26ClNO2/c1-2-24-20-13-17(14-23-18-10-6-7-11-18)12-19(22)21(20)25-15-16-8-4-3-5-9-16/h3-5,8-9,12-13,18,23H,2,6-7,10-11,14-15H2,1H3
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n/an/a 2.24E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54801
PNG
((4-benzoxy-3-chloro-5-ethoxy-benzyl)-cyclopentyl-a...)
Show SMILES CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccccc1
Show InChI InChI=1S/C21H26ClNO2/c1-2-24-20-13-17(14-23-18-10-6-7-11-18)12-19(22)21(20)25-15-16-8-4-3-5-9-16/h3-5,8-9,12-13,18,23H,2,6-7,10-11,14-15H2,1H3
PDB

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KEGG

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PC cid
PC sid
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n/an/a 7.88E+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 (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair