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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 = 'BDBM50051565'   
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


(Homo sapiens (Human))
BDBM50051565
PNG
(4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
>1.60E+3n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of serotonin 5-HT1A receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051565
PNG
(4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.70E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-8-OH-DPAT towards 5-hydroxytryptamine 1A receptor in cloned mammalian receptor expressed in cultured cells or from rat whole...


J Med Chem 39: 2435-7 (1996)


Article DOI: 10.1021/jm960084f
BindingDB Entry DOI: 10.7270/Q2H1314Z
More data for this
Ligand-Target Pair