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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50054372'   
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))
BDBM50054372
PNG
(2-(4-Phenyl-piperazin-1-ylmethyl)-tetrahydro-imida...)
Show SMILES Oc1c2CCCCn2c(=O)n1CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C18H24N4O2/c23-17-16-8-4-5-9-21(16)18(24)22(17)14-19-10-12-20(13-11-19)15-6-2-1-3-7-15/h1-3,6-7,23H,4-5,8-14H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
101n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-hydroxytryptamine 1A receptor of rat cerebral cortex using [3H]8-OH-DPAT as radioligand.


J Med Chem 40: 1648-56 (1997)


Article DOI: 10.1021/jm960744g
BindingDB Entry DOI: 10.7270/Q2K35V96
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50054372
PNG
(2-(4-Phenyl-piperazin-1-ylmethyl)-tetrahydro-imida...)
Show SMILES Oc1c2CCCCn2c(=O)n1CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C18H24N4O2/c23-17-16-8-4-5-9-21(16)18(24)22(17)14-19-10-12-20(13-11-19)15-6-2-1-3-7-15/h1-3,6-7,23H,4-5,8-14H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
101n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT radioligand.


J Med Chem 39: 4439-50 (1996)


Article DOI: 10.1021/jm960416g
BindingDB Entry DOI: 10.7270/Q2WS8SBN
More data for this
Ligand-Target Pair