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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 = 'BDBM50004805'   
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


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		BDBM50004805
PNG
(3-Butyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1-phen...)
Show SMILES CCCCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C27H34FN3O2/c1-2-3-18-30-21-31(24-8-5-4-6-9-24)27(26(30)33)15-19-29(20-16-27)17-7-10-25(32)22-11-13-23(28)14-12-22/h4-6,8-9,11-14H,2-3,7,10,15-21H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.410n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [125]I-LSD radioligand

J Med Chem 35: 423-30 (1992)


BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair