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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 = 'BDBM50422029'   
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


(Rattus norvegicus (rat))		BDBM50422029
PNG
(CHEMBL103388)
Show SMILES CN(C)CCc1c[nH]c2ccc(CN3CCN(Cc4ccc(NC(C)=O)cc4)S3(=O)=O)cc12
Show InChI InChI=1S/C24H31N5O3S/c1-18(30)26-22-7-4-19(5-8-22)16-28-12-13-29(33(28,31)32)17-20-6-9-24-23(14-20)21(15-25-24)10-11-27(2)3/h4-9,14-15,25H,10-13,16-17H2,1-3H3,(H,26,30)
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PubMed
n/an/a 7.94E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DOB binding to 5-hydroxytryptamine 2A receptor from rat cortex homogenate

J Med Chem 37: 3023-32 (1994)


BindingDB Entry DOI: 10.7270/Q2V69KWJ
More data for this
Ligand-Target Pair