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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 = 'BDBM50054371'   
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))
BDBM50054371
PNG
(2-[4-(4-Phenyl-piperazin-1-yl)-butyl]-tetrahydro-p...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H28N4O2/c25-19-18-9-6-12-23(18)20(26)24(19)11-5-4-10-21-13-15-22(16-14-21)17-7-2-1-3-8-17/h1-3,7-8,25H,4-6,9-16H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24.8n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50054371
PNG
(2-[4-(4-Phenyl-piperazin-1-yl)-butyl]-tetrahydro-p...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H28N4O2/c25-19-18-9-6-12-23(18)20(26)24(19)11-5-4-10-21-13-15-22(16-14-21)17-7-2-1-3-8-17/h1-3,7-8,25H,4-6,9-16H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
25n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Tested in vitro for binding affinity by measuring its ability to inhibit [3H]8-OH-DPAT binding at 5-hydroxytryptamine 1A receptor in rat cerebral cor...


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