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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50068530   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50068530
PNG
(1-Cyclohexyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)C1CCCCC1
Show InChI InChI=1S/C23H32FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h8-11,20H,1-7,12-17H2,(H,25,29)
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PC cid
PC sid
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Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat Dopamine receptor D2.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50068530
PNG
(1-Cyclohexyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)C1CCCCC1
Show InChI InChI=1S/C23H32FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h8-11,20H,1-7,12-17H2,(H,25,29)
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Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50068530
PNG
(1-Cyclohexyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)C1CCCCC1
Show InChI InChI=1S/C23H32FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h8-11,20H,1-7,12-17H2,(H,25,29)
PDB

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UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
677n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against rat 5-hydroxytryptamine 2C receptor in A-9 cells.


J Med Chem 41: 5084-93 (1999)


Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B
More data for this
Ligand-Target Pair