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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50034350'   
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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50034350
PNG
((3aS,9aR) 1-Allyl-5-methoxy-2,3,3a,4,9,9a-hexahydr...)
Show SMILES COc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12
Show InChI InChI=1S/C16H21NO/c1-3-8-17-9-7-13-10-14-12(11-15(13)17)5-4-6-16(14)18-2/h3-6,13,15H,1,7-11H2,2H3/t13-,15-/m1/s1
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PC cid
PC sid
UniChem

Similars

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



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for [3H]raclopride-labeled dopamine receptor D2 in rat striatum


J Med Chem 36: 1069-83 (1993)


BindingDB Entry DOI: 10.7270/Q2833SPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50034350
PNG
((3aS,9aR) 1-Allyl-5-methoxy-2,3,3a,4,9,9a-hexahydr...)
Show SMILES COc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12
Show InChI InChI=1S/C16H21NO/c1-3-8-17-9-7-13-10-14-12(11-15(13)17)5-4-6-16(14)18-2/h3-6,13,15H,1,7-11H2,2H3/t13-,15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]raclopride-labeled dopamine receptor D2 in rat striatum


J Med Chem 36: 1069-83 (1993)


BindingDB Entry DOI: 10.7270/Q2833SPR
More data for this
Ligand-Target Pair