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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50062241'   
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 1A


(Rattus norvegicus (rat))		BDBM50062241
PNG
(CHEMBL3397075)
Show SMILES COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(F)cc23)c1=O |(5.07,3.7,;4,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;10.67,-.76,;12,-1.53,;12,-3.07,;10.67,-3.84,;9.34,-3.07,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
Show InChI InChI=1S/C32H33FN4O3/c1-40-29-10-3-2-8-24(29)30-28-9-4-5-16-36(28)32(39)37(31(30)38)17-7-6-15-35-18-13-22(14-19-35)26-21-34-27-12-11-23(33)20-25(26)27/h2-5,8-12,16,20-22,34H,6-7,13-15,17-19H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 5.60n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat brain hippocampus 5-HT1A receptor by radioligand binding assay

Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair