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BDBM50056023 1-[(E)-4-(4-Fluoro-phenyl)-but-3-enyl]-4-(2-methoxy-phenyl)-piperazine::CHEMBL104805

SMILES: COc1ccccc1N1CCN(CC\C=C\c2ccc(F)cc2)CC1

InChI Key: InChIKey=RZIVFBRAKJMQQL-GQCTYLIASA-N

Data: 2 KI

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 = 50056023   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056023
PNG
(1-[(E)-4-(4-Fluoro-phenyl)-but-3-enyl]-4-(2-methox...)
Show SMILES COc1ccccc1N1CCN(CC\C=C\c2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H25FN2O/c1-25-21-8-3-2-7-20(21)24-16-14-23(15-17-24)13-5-4-6-18-9-11-19(22)12-10-18/h2-4,6-12H,5,13-17H2,1H3/b6-4+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50056023
PNG
(1-[(E)-4-(4-Fluoro-phenyl)-but-3-enyl]-4-(2-methox...)
Show SMILES COc1ccccc1N1CCN(CC\C=C\c2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H25FN2O/c1-25-21-8-3-2-7-20(21)24-16-14-23(15-17-24)13-5-4-6-18-9-11-19(22)12-10-18/h2-4,6-12H,5,13-17H2,1H3/b6-4+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.10n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair