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BDBM38235 1-[4-[4-(2-fluorophenyl)-1-piperazinyl]-1-piperidinyl]ethanone::1-[4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone::1-[4-[4-(2-fluorophenyl)piperazino]piperidino]ethanone::MLS000106452::SMR000103419::cid_743199

SMILES: CC(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1F

InChI Key: InChIKey=DGZHDCOAURPHLR-UHFFFAOYSA-N

Data: 1 IC50  3 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 4 hits for monomerid = 38235   
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
Factor XIIa


(Homo sapiens (Human))
BDBM38235
PNG
(1-[4-[4-(2-fluorophenyl)-1-piperazinyl]-1-piperidi...)
Show SMILES CC(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C17H24FN3O/c1-14(22)19-8-6-15(7-9-19)20-10-12-21(13-11-20)17-5-3-2-4-16(17)18/h2-5,15H,6-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM38235
PNG
(1-[4-[4-(2-fluorophenyl)-1-piperazinyl]-1-piperidi...)
Show SMILES CC(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C17H24FN3O/c1-14(22)19-8-6-15(7-9-19)20-10-12-21(13-11-20)17-5-3-2-4-16(17)18/h2-5,15H,6-13H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
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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))
BDBM38235
PNG
(1-[4-[4-(2-fluorophenyl)-1-piperazinyl]-1-piperidi...)
Show SMILES CC(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C17H24FN3O/c1-14(22)19-8-6-15(7-9-19)20-10-12-21(13-11-20)17-5-3-2-4-16(17)18/h2-5,15H,6-13H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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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
LANA


(Human herpesvirus 8)
BDBM38235
PNG
(1-[4-[4-(2-fluorophenyl)-1-piperazinyl]-1-piperidi...)
Show SMILES CC(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C17H24FN3O/c1-14(22)19-8-6-15(7-9-19)20-10-12-21(13-11-20)17-5-3-2-4-16(17)18/h2-5,15H,6-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>7.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair