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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 = 'BDBM50051281'   
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))
BDBM50051281
PNG
((S)-2-{2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1...)
Show SMILES CC(C)[C@H](Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12)C(O)=O
Show InChI InChI=1S/C27H35N5O3S/c1-19(2)24(27(34)35)29-22-11-5-3-9-20(22)26(33)28-13-7-8-14-31-15-17-32(18-16-31)25-21-10-4-6-12-23(21)36-30-25/h3-6,9-12,19,24,29H,7-8,13-18H2,1-2H3,(H,28,33)(H,34,35)/t24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor


J Med Chem 39: 1172-88 (1996)


Article DOI: 10.1021/jm950551d
BindingDB Entry DOI: 10.7270/Q2SQ912Q
More data for this
Ligand-Target Pair