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Compile Data Set for Download or QSAR

Found 2 hits from CNS Line   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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PC sid
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



CNS Line

Curated by ChEMBL


Assay Description
Evaluated for the affinity against Dopamine receptor D2 in rat striatal membranes


J Med Chem 31: 1466-71 (1988)


Article DOI: 10.1021/jm00402a036
BindingDB Entry DOI: 10.7270/Q2KW5F21
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



CNS Line

Curated by ChEMBL


Assay Description
Evaluated for the affinity against Dopamine receptor D2 in rat striatal membranes


J Med Chem 31: 1466-71 (1988)


Article DOI: 10.1021/jm00402a036
BindingDB Entry DOI: 10.7270/Q2KW5F21
More data for this
Ligand-Target Pair