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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50028558   
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))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2A receptor expressed in EC80 serotonin-stimulated CHOK1 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 2530-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.048
BindingDB Entry DOI: 10.7270/Q2JS9Q9N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50259226
PNG
(1-Benzyloxy-2-methoxy-6-methyl-5,6,6a,7-tetrahydro...)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccccc1)c23
Show InChI InChI=1S/C26H25NO4/c1-27-9-8-17-11-23(28-2)26(29-14-16-6-4-3-5-7-16)25-19-13-22-21(30-15-31-22)12-18(19)10-20(27)24(17)25/h3-7,11-13,20H,8-10,14-15H2,1-2H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2A receptor expressed in EC80 serotonin-stimulated CHOK1 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 2530-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.048
BindingDB Entry DOI: 10.7270/Q2JS9Q9N
More data for this
Ligand-Target Pair