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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 = 'BDBM50157767'   
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))
BDBM50157767
PNG
(CHEMBL376662 | N-(5-methoxy-1,2,3,4-tetrahydronaph...)
Show SMILES COc1cccc2C(CCCc12)NC(=O)CCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C26H35N3O3/c1-31-24-13-6-8-20-21(24)9-5-10-22(20)27-26(30)14-7-15-28-16-18-29(19-17-28)23-11-3-4-12-25(23)32-2/h3-4,6,8,11-13,22H,5,7,9-10,14-19H2,1-2H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
254n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from 5HT-1A receptor in rat hippocampal membrane incubated for 20 mins by competitive binding assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112437
BindingDB Entry DOI: 10.7270/Q2NS0ZP0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50157767
PNG
(CHEMBL376662 | N-(5-methoxy-1,2,3,4-tetrahydronaph...)
Show SMILES COc1cccc2C(CCCc12)NC(=O)CCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C26H35N3O3/c1-31-24-13-6-8-20-21(24)9-5-10-22(20)27-26(30)14-7-15-28-16-18-29(19-17-28)23-11-3-4-12-25(23)32-2/h3-4,6,8,11-13,22H,5,7,9-10,14-19H2,1-2H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
254n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Wistar Han rat hippocampal membranes


J Med Chem 47: 6616-24 (2004)


Article DOI: 10.1021/jm049702f
BindingDB Entry DOI: 10.7270/Q2RX9BKX
More data for this
Ligand-Target Pair