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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 = 'BDBM50231649'   
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))
BDBM50231649
PNG
(CHEMBL281432)
Show SMILES CCCN1CCC(=CC1)c1c[nH]c2ccc(cc12)C(N)=O |c:6|
Show InChI InChI=1S/C17H21N3O/c1-2-7-20-8-5-12(6-9-20)15-11-19-16-4-3-13(17(18)21)10-14(15)16/h3-5,10-11,19H,2,6-9H2,1H3,(H2,18,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement


J Med Chem 39: 126-34 (1996)


Article DOI: 10.1021/jm950410b
BindingDB Entry DOI: 10.7270/Q2VX0K7V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231649
PNG
(CHEMBL281432)
Show SMILES CCCN1CCC(=CC1)c1c[nH]c2ccc(cc12)C(N)=O |c:6|
Show InChI InChI=1S/C17H21N3O/c1-2-7-20-8-5-12(6-9-20)15-11-19-16-4-3-13(17(18)21)10-14(15)16/h3-5,10-11,19H,2,6-9H2,1H3,(H2,18,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


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


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair