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BDBM50252693 CHEMBL522194::N-(4-Methanesulfonyloxyphenylmethyl)-4-(2-methoxyphenyl)-1-piperazinehexanamide

SMILES: COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1

InChI Key: InChIKey=NQNRCHXTCUMIPZ-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50252693   
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 1A


(Homo sapiens (Human))
BDBM50252693
PNG
(CHEMBL522194 | N-(4-Methanesulfonyloxyphenylmethyl...)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
Show InChI InChI=1S/C25H35N3O5S/c1-32-24-9-6-5-8-23(24)28-18-16-27(17-19-28)15-7-3-4-10-25(29)26-20-21-11-13-22(14-12-21)33-34(2,30)31/h5-6,8-9,11-14H,3-4,7,10,15-20H2,1-2H3,(H,26,29)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
29n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50252693
PNG
(CHEMBL522194 | N-(4-Methanesulfonyloxyphenylmethyl...)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
Show InChI InChI=1S/C25H35N3O5S/c1-32-24-9-6-5-8-23(24)28-18-16-27(17-19-28)15-7-3-4-10-25(29)26-20-21-11-13-22(14-12-21)33-34(2,30)31/h5-6,8-9,11-14H,3-4,7,10,15-20H2,1-2H3,(H,26,29)
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
71n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50252693
PNG
(CHEMBL522194 | N-(4-Methanesulfonyloxyphenylmethyl...)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
Show InChI InChI=1S/C25H35N3O5S/c1-32-24-9-6-5-8-23(24)28-18-16-27(17-19-28)15-7-3-4-10-25(29)26-20-21-11-13-22(14-12-21)33-34(2,30)31/h5-6,8-9,11-14H,3-4,7,10,15-20H2,1-2H3,(H,26,29)
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
91n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair