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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serotonin 2 (5-HT2) receptor' and Ligand = 'BDBM50001116'   
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
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM50001116
PNG
(8-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperi...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)COc3ccc2[nH]1
Show InChI InChI=1S/C25H26N4O5/c1-32-24(30)20-12-17-18(26-20)6-7-22-23(17)34-16(14-33-22)13-28-10-8-15(9-11-28)29-21-5-3-2-4-19(21)27-25(29)31/h2-7,12,15-16,26H,8-11,13-14H2,1H3,(H,27,31)
PDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
32n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor expressed in CHO cell membranes using [3H]ketanserin (60 Ci/mmol, 1 nM)


J Med Chem 35: 3058-66 (1992)


BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair