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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 = 'BDBM50526015'   
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


(Homo sapiens (Human))		BDBM50526015
PNG
(CHEMBL4570209)
Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(OC)cc23)c1=O
Show InChI InChI=1S/C33H36N4O4/c1-40-25-12-10-23(11-13-25)31-30-9-3-4-18-36(30)33(39)37(32(31)38)19-6-5-16-35-17-7-8-24(22-35)28-21-34-29-15-14-26(41-2)20-27(28)29/h3-4,9-15,18,20-21,24,34H,5-8,16-17,19,22H2,1-2H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 62n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...

Eur J Med Chem 166: 144-158 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.031
BindingDB Entry DOI: 10.7270/Q2M61PPW
More data for this
Ligand-Target Pair