BindingDB logo
myBDB logout

BDBM83333 1-[2-(2-furyl)benzyl]-4-(2-methoxyethyl)isonipecotic acid ethyl ester::1-[[2-(2-furanyl)phenyl]methyl]-4-(2-methoxyethyl)-4-piperidinecarboxylic acid ethyl ester::MLS000735291::SMR000318512::cid_16187783::ethyl 1-[2-(2-furyl)benzyl]-4-(2-methoxyethyl)piperidine-4-carboxylate::ethyl 1-[[2-(furan-2-yl)phenyl]methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate

SMILES: CCOC(=O)C1(CCOC)CCN(Cc2ccccc2-c2ccco2)CC1

InChI Key: InChIKey=OASJVKVLPSVSCV-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 83333   
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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM83333
PNG
(1-[2-(2-furyl)benzyl]-4-(2-methoxyethyl)isonipecot...)
Show SMILES CCOC(=O)C1(CCOC)CCN(Cc2ccccc2-c2ccco2)CC1
Show InChI InChI=1S/C22H29NO4/c1-3-26-21(24)22(12-16-25-2)10-13-23(14-11-22)17-18-7-4-5-8-19(18)20-9-6-15-27-20/h4-9,15H,3,10-14,16-17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/an/an/a>9.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


Article DOI: 10.1021/acs.biochem.5b00135
BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair