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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50099255'   
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))
BDBM50099255
PNG
(6-Fluoro-2-(4-fluoro-phenyl)-3-piperidin-3-yl-1H-i...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2cc(F)ccc2c1C1CCCNC1
Show InChI InChI=1S/C19H18F2N2/c20-14-5-3-12(4-6-14)19-18(13-2-1-9-22-11-13)16-8-7-15(21)10-17(16)23-19/h3-8,10,13,22-23H,1-2,9,11H2
PDB
MMDB

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PC sid
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Similars

PubMed
0.0900n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells


J Med Chem 44: 1603-14 (2001)


BindingDB Entry DOI: 10.7270/Q27M076K
More data for this
Ligand-Target Pair