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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 = 'BDBM50083310'   
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))
BDBM50083310
PNG
(CHEMBL542752 | N-{2-[4-(3-Chloro-phenyl)-piperazin...)
Show SMILES C[C@]12C[C@@H]3C[C@H](C1)CC(CC(=O)NCCN1CCN(CC1)c1cccc(Cl)c1)(C3)C2 |TLB:9:8:6:3.2.4,28:8:6:3.2.4,THB:9:8:2:5.6.4,7:8:2:5.6.4,28:3:8.29.7:6|
Show InChI InChI=1S/C25H36ClN3O/c1-24-13-19-11-20(14-24)16-25(15-19,18-24)17-23(30)27-5-6-28-7-9-29(10-8-28)22-4-2-3-21(26)12-22/h2-4,12,19-20H,5-11,13-18H2,1H3,(H,27,30)/t19-,20+,24-,25?
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
38n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair