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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 = 'BDBM50138470'   
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))
BDBM50138470
PNG
((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...)
Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:11:12:18.20.17:14.15|
Show InChI InChI=1S/C24H29NO4/c1-2-27-21-9-6-10-22-23(21)29-20(16-28-22)15-25-18-11-12-19(25)14-24(26,13-18)17-7-4-3-5-8-17/h3-10,18-20,26H,2,11-16H2,1H3/t18-,19+,20-,24+/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair