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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 = 'BDBM50005265'   
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))
BDBM50005265
PNG
((+/-)2-(2,5-Dimethoxy-4-methyl-phenyl)-1-methyl-et...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1C
Show InChI InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
DrugBank
PC cid
PC sid
UniChem

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Similars

PubMed
5.13E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in rat hippocampal tissue


J Med Chem 31: 867-70 (1988)


BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50005265
PNG
((+/-)2-(2,5-Dimethoxy-4-methyl-phenyl)-1-methyl-et...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1C
Show InChI InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7.27E+3n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Biochem Pharmacol 45: 375-83 (1993)


Article DOI: 10.1016/0006-2952(93)90073-6
BindingDB Entry DOI: 10.7270/Q2BZ64JG
More data for this
Ligand-Target Pair