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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 = 'BDBM50013015'   
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))
BDBM50013015
PNG
(CHEMBL176446 | Diazo-acetic acid 7-dipropylamino-5...)
Show SMILES CCCN(CCC)C1CCc2cccc(OC(=O)[CH-][N+]#N)c2C1
Show InChI InChI=1S/C18H25N3O2/c1-3-10-21(11-4-2)15-9-8-14-6-5-7-17(16(14)12-15)23-18(22)13-20-19/h5-7,13,15H,3-4,8-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 107n/an/an/an/an/an/a



Mount Sinai School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-8-OH- DPAT as radioligand


J Med Chem 33: 950-5 (1990)


BindingDB Entry DOI: 10.7270/Q2V98729
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50013015
PNG
(CHEMBL176446 | Diazo-acetic acid 7-dipropylamino-5...)
Show SMILES CCCN(CCC)C1CCc2cccc(OC(=O)[CH-][N+]#N)c2C1
Show InChI InChI=1S/C18H25N3O2/c1-3-10-21(11-4-2)15-9-8-14-6-5-7-17(16(14)12-15)23-18(22)13-20-19/h5-7,13,15H,3-4,8-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 155n/an/an/an/an/an/a



Mount Sinai School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-8-OH- DPAT as radioligand


J Med Chem 33: 950-5 (1990)


BindingDB Entry DOI: 10.7270/Q2V98729
More data for this
Ligand-Target Pair