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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50095028'   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095028
PNG
(2-Phenyl-3-(2-piperidin-1-yl-ethyl)-1H-indole | CH...)
Show SMILES C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCCC1
Show InChI InChI=1S/C21H24N2/c1-3-9-17(10-4-1)21-19(13-16-23-14-7-2-8-15-23)18-11-5-6-12-20(18)22-21/h1,3-6,9-12,22H,2,7-8,13-16H2
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2.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095028
PNG
(2-Phenyl-3-(2-piperidin-1-yl-ethyl)-1H-indole | CH...)
Show SMILES C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCCC1
Show InChI InChI=1S/C21H24N2/c1-3-9-17(10-4-1)21-19(13-16-23-14-7-2-8-15-23)18-11-5-6-12-20(18)22-21/h1,3-6,9-12,22H,2,7-8,13-16H2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
2.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells


Bioorg Med Chem Lett 10: 2701-3 (2000)


BindingDB Entry DOI: 10.7270/Q23J3C7W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095028
PNG
(2-Phenyl-3-(2-piperidin-1-yl-ethyl)-1H-indole | CH...)
Show SMILES C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCCC1
Show InChI InChI=1S/C21H24N2/c1-3-9-17(10-4-1)21-19(13-16-23-14-7-2-8-15-23)18-11-5-6-12-20(18)22-21/h1,3-6,9-12,22H,2,7-8,13-16H2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
2.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability of the compound to displace [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor was determined


Bioorg Med Chem Lett 10: 2693-6 (2000)


BindingDB Entry DOI: 10.7270/Q2C24VPJ
More data for this
Ligand-Target Pair