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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 = 'BDBM50136166'   
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))
BDBM50136166
PNG
((3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)pheno...)
Show SMILES CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
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Similars

PubMed
5.89E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Neuropsychopharmacology 5: 43-7 (1991)


BindingDB Entry DOI: 10.7270/Q2RN36B3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50136166
PNG
((3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)pheno...)
Show SMILES CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor (5-HT1A) by displacement of [3H]8-OH-DPAT from rat hippocampus membranes


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair