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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 = 'BDBM50052864'   
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))
BDBM50052864
PNG
((R)-11-Ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CCc1cccc2C[C@H]3N(C)CCc4cccc(c34)-c12
Show InChI InChI=1S/C19H21N/c1-3-13-6-4-8-15-12-17-19-14(10-11-20(17)2)7-5-9-16(19)18(13)15/h4-9,17H,3,10-12H2,1-2H3/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.5n/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))
BDBM50052864
PNG
((R)-11-Ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CCc1cccc2C[C@H]3N(C)CCc4cccc(c34)-c12
Show InChI InChI=1S/C19H21N/c1-3-13-6-4-8-15-12-17-19-14(10-11-20(17)2)7-5-9-16(19)18(13)15/h4-9,17H,3,10-12H2,1-2H3/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair