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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 = 'BDBM50239411'   
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))		BDBM50239411
PNG
(CHEMBL4068702)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN2CCCN(CC2)c2ccc(O)c3[nH]c(=O)ccc23)nn1
Show InChI InChI=1S/C35H47N7O5/c1-3-4-20-42-25-27(38-39-42)9-7-23-47-31-14-10-26(24-32(31)46-2)35(45)36-16-5-6-17-40-18-8-19-41(22-21-40)29-12-13-30(43)34-28(29)11-15-33(44)37-34/h10-15,24-25,43H,3-9,16-23H2,1-2H3,(H,36,45)(H,37,44)
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Article
PubMed
 1.50E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-Nuernberg

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2AR expressed in HEK293T cell membranes by radioligand binding assay

J Med Chem 60: 4693-4713 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00363
BindingDB Entry DOI: 10.7270/Q2QC05NH
More data for this
Ligand-Target Pair