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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A (5-HT1A)' and Ligand = 'BDBM50107249'   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM50107249
PNG
(1-[2-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES COc1ccc2CCC(CCN3CCN(CC3)c3ccccn3)Cc2c1
Show InChI InChI=1S/C22H29N3O/c1-26-21-8-7-19-6-5-18(16-20(19)17-21)9-11-24-12-14-25(15-13-24)22-4-2-3-10-23-22/h2-4,7-8,10,17-18H,5-6,9,11-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Karolinska Institute and Karolinska University Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in human HeLa cell membranes assessed as stimulation of [35S]GTPgammaS binding after 20 mins by l...


Bioorg Med Chem 23: 4824-30 (2015)


Article DOI: 10.1016/j.bmc.2015.05.042
BindingDB Entry DOI: 10.7270/Q21R6S8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50107249
PNG
(1-[2-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES COc1ccc2CCC(CCN3CCN(CC3)c3ccccn3)Cc2c1
Show InChI InChI=1S/C22H29N3O/c1-26-21-8-7-19-6-5-18(16-20(19)17-21)9-11-24-12-14-25(15-13-24)22-4-2-3-10-23-22/h2-4,7-8,10,17-18H,5-6,9,11-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.5n/an/an/an/a



Karolinska Institute and Karolinska University Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in CHO cells after 90 mins by beta-arrestin-2 recruitment assay


Bioorg Med Chem 23: 4824-30 (2015)


Article DOI: 10.1016/j.bmc.2015.05.042
BindingDB Entry DOI: 10.7270/Q21R6S8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50107249
PNG
(1-[2-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES COc1ccc2CCC(CCN3CCN(CC3)c3ccccn3)Cc2c1
Show InChI InChI=1S/C22H29N3O/c1-26-21-8-7-19-6-5-18(16-20(19)17-21)9-11-24-12-14-25(15-13-24)22-4-2-3-10-23-22/h2-4,7-8,10,17-18H,5-6,9,11-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 21n/an/an/an/a



Karolinska Institute and Karolinska University Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 15 mins by EL...


Bioorg Med Chem 23: 4824-30 (2015)


Article DOI: 10.1016/j.bmc.2015.05.042
BindingDB Entry DOI: 10.7270/Q21R6S8W
More data for this
Ligand-Target Pair