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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 = 'BDBM50029309'   
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))
BDBM50029309
PNG
(1-{3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CCCC3=O)c2)CC1
Show InChI InChI=1S/C26H33N3O3/c1-20(2)32-24-10-4-3-9-23(24)28-15-13-27(14-16-28)18-21-7-5-8-22(17-21)19-29-25(30)11-6-12-26(29)31/h3-5,7-10,17,20H,6,11-16,18-19H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
8.60n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity against the 5-hydroxytryptamine receptor 1A using [3H]WB-4101.


J Med Chem 38: 4211-22 (1995)


BindingDB Entry DOI: 10.7270/Q2C53MH2
More data for this
Ligand-Target Pair