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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serotonin 2a (5-HT2a) receptor' and Ligand = 'BDBM50070518'   
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 2a (5-HT2a) receptor


(BOVINE)
BDBM50070518
PNG
((R)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-...)
Show SMILES Cc1ccc(cc1C)N1CCN(CC[C@H]2NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m1/s1
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PC cid
PC sid
UniChem
PubMed
36n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vivo binding affinity was evaluated against 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 8: 1499-502 (1999)


BindingDB Entry DOI: 10.7270/Q2WH2P54
More data for this
Ligand-Target Pair