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BDBM96924 MLS002182684::N-[2-(4-fluorophenyl)ethyl]-4-(4-morpholinyl)-4-oxobutanamide::N-[2-(4-fluorophenyl)ethyl]-4-keto-4-morpholino-butyramide::N-[2-(4-fluorophenyl)ethyl]-4-morpholin-4-yl-4-oxidanylidene-butanamide::N-[2-(4-fluorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide::SMR001271714::cid_25162571

SMILES: Fc1ccc(CCNC(=O)CCC(=O)N2CCOCC2)cc1

InChI Key: InChIKey=AFFJSLKSDZCMNA-UHFFFAOYSA-N

Data: 2 IC50  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 4 hits for monomerid = 96924   
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
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96924
PNG
(MLS002182684 | N-[2-(4-fluorophenyl)ethyl]-4-(4-mo...)
Show SMILES Fc1ccc(CCNC(=O)CCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C16H21FN2O3/c17-14-3-1-13(2-4-14)7-8-18-15(20)5-6-16(21)19-9-11-22-12-10-19/h1-4H,5-12H2,(H,18,20)
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20G3HS3
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96924
PNG
(MLS002182684 | N-[2-(4-fluorophenyl)ethyl]-4-(4-mo...)
Show SMILES Fc1ccc(CCNC(=O)CCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C16H21FN2O3/c17-14-3-1-13(2-4-14)7-8-18-15(20)5-6-16(21)19-9-11-22-12-10-19/h1-4H,5-12H2,(H,18,20)
Reactome pathway
KEGG

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antibodypedia
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AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.48E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QSB
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96924
PNG
(MLS002182684 | N-[2-(4-fluorophenyl)ethyl]-4-(4-mo...)
Show SMILES Fc1ccc(CCNC(=O)CCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C16H21FN2O3/c17-14-3-1-13(2-4-14)7-8-18-15(20)5-6-16(21)19-9-11-22-12-10-19/h1-4H,5-12H2,(H,18,20)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2M61HV2
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96924
PNG
(MLS002182684 | N-[2-(4-fluorophenyl)ethyl]-4-(4-mo...)
Show SMILES Fc1ccc(CCNC(=O)CCC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C16H21FN2O3/c17-14-3-1-13(2-4-14)7-8-18-15(20)5-6-16(21)19-9-11-22-12-10-19/h1-4H,5-12H2,(H,18,20)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2VQ3196
More data for this
Ligand-Target Pair