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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 = 'BDBM50070613'   
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))
BDBM50070613
PNG
(CHEMBL3409035)
Show SMILES NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(CC1)c1ccccc1-c1ccccc1 |r|
Show InChI InChI=1S/C31H36N4O2/c32-31(37)29-22-25-12-4-5-13-26(25)23-35(29)30(36)16-8-9-17-33-18-20-34(21-19-33)28-15-7-6-14-27(28)24-10-2-1-3-11-24/h1-7,10-15,29H,8-9,16-23H2,(H2,32,37)/t29-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
66n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 92: 202-11 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.041
BindingDB Entry DOI: 10.7270/Q2TT4SNW
More data for this
Ligand-Target Pair