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BDBM114618 3-[4-(2-fluorophenyl)piperazino]-N-p-phenetyl-propionamide::N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)-1-piperazinyl]propanamide::N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide::SR-01000595091::SR-01000595091-3::cid_4226151

SMILES: CCOc1ccc(NC(=O)CCN2CCN(CC2)c2ccccc2F)cc1

InChI Key: InChIKey=BZQNGDFWFBIFAC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 114618   
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
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114618
PNG
(3-[4-(2-fluorophenyl)piperazino]-N-p-phenetyl-prop...)
Show SMILES CCOc1ccc(NC(=O)CCN2CCN(CC2)c2ccccc2F)cc1
Show InChI InChI=1S/C21H26FN3O2/c1-2-27-18-9-7-17(8-10-18)23-21(26)11-12-24-13-15-25(16-14-24)20-6-4-3-5-19(20)22/h3-10H,2,11-16H2,1H3,(H,23,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 7.61E+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 (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM114618
PNG
(3-[4-(2-fluorophenyl)piperazino]-N-p-phenetyl-prop...)
Show SMILES CCOc1ccc(NC(=O)CCN2CCN(CC2)c2ccccc2F)cc1
Show InChI InChI=1S/C21H26FN3O2/c1-2-27-18-9-7-17(8-10-18)23-21(26)11-12-24-13-15-25(16-14-24)20-6-4-3-5-19(20)22/h3-10H,2,11-16H2,1H3,(H,23,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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) Assay Provider: Laura Bohn External Assay ID: OPRM1_AC...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2833QNG
More data for this
Ligand-Target Pair