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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 = 'BDBM50052851'   
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))
BDBM50052851
PNG
((R)-10-Methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(C)c(O)c-31
Show InChI InChI=1S/C20H23NO/c1-3-10-21-11-9-14-5-4-6-16-18(14)17(21)12-15-8-7-13(2)20(22)19(15)16/h4-8,17,22H,3,9-12H2,1-2H3/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor


J Med Chem 50: 171-81 (2007)


Article DOI: 10.1021/jm060959i
BindingDB Entry DOI: 10.7270/Q22J6CPJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052851
PNG
((R)-10-Methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(C)c(O)c-31
Show InChI InChI=1S/C20H23NO/c1-3-10-21-11-9-14-5-4-6-16-18(14)17(21)12-15-8-7-13(2)20(22)19(15)16/h4-8,17,22H,3,9-12H2,1-2H3/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12.3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 3491-502 (1996)


Article DOI: 10.1021/jm960188q
BindingDB Entry DOI: 10.7270/Q2XW4HXS
More data for this
Ligand-Target Pair