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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 = 'BDBM50034357'   
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


(Homo sapiens (Human))
BDBM50034357
PNG
((2aR,8bR)-2-Allyl-8-methoxy-1,2,2a,3,4,8b-hexahydr...)
Show SMILES COc1cccc2CC[C@@H]3[C@@H](CN3CC=C)c12
Show InChI InChI=1S/C15H19NO/c1-3-9-16-10-12-13(16)8-7-11-5-4-6-14(17-2)15(11)12/h3-6,12-13H,1,7-10H2,2H3/t12-,13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5.90n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand


J Med Chem 36: 1301-15 (1993)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50034357
PNG
((2aR,8bR)-2-Allyl-8-methoxy-1,2,2a,3,4,8b-hexahydr...)
Show SMILES COc1cccc2CC[C@@H]3[C@@H](CN3CC=C)c12
Show InChI InChI=1S/C15H19NO/c1-3-9-16-10-12-13(16)8-7-11-5-4-6-14(17-2)15(11)12/h3-6,12-13H,1,7-10H2,2H3/t12-,13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5.90n/an/an/an/an/an/an/an/a



Arris Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Tested for activity against 5-hydroxytryptamine 1A receptor from bovine hippocampus


J Med Chem 38: 1295-308 (1995)


BindingDB Entry DOI: 10.7270/Q2CJ8CJ9
More data for this
Ligand-Target Pair