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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 = 'BDBM50416784'   
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))
BDBM50416784
PNG
(CHEMBL1242725)
Show SMILES COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3C(=O)CCC3=O)(O2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C26H31N3O5/c1-32-23-10-6-5-9-22(23)28-15-13-27(14-16-28)17-21-18-33-26(34-21,20-7-3-2-4-8-20)19-29-24(30)11-12-25(29)31/h2-10,21H,11-19H2,1H3/t21-,26-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
25.7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]8-OH-DPAT of human cloned 5HT1A receptor expressed in human HeLa cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair