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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 = 'BDBM50016772'   
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))
BDBM50016772
PNG
(7-Dimethylamino-5,6,7,8-tetrahydro-naphthalen-1-ol...)
Show SMILES CN(C)[C@@H]1CCc2cccc(O)c2C1
Show InChI InChI=1S/C12H17NO/c1-13(2)10-7-6-9-4-3-5-12(14)11(9)8-10/h3-5,10,14H,6-8H2,1-2H3/t10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
75n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Human progesterone receptor (hPR) agonist activity in T47D human breast cancer cell line


J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50016772
PNG
(7-Dimethylamino-5,6,7,8-tetrahydro-naphthalen-1-ol...)
Show SMILES CN(C)[C@@H]1CCc2cccc(O)c2C1
Show InChI InChI=1S/C12H17NO/c1-13(2)10-7-6-9-4-3-5-12(14)11(9)8-10/h3-5,10,14H,6-8H2,1-2H3/t10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 75n/an/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit cortical 5-hydroxytryptamine 1A receptor binding sites in rat brain was evaluated


J Med Chem 32: 779-83 (1989)


BindingDB Entry DOI: 10.7270/Q2736PW1
More data for this
Ligand-Target Pair