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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 = 'BDBM50052867'   
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


(Homo sapiens (Human))
BDBM50052867
PNG
((R)-6,11-Dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[d...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(C)c-31
Show InChI InChI=1S/C18H19N/c1-12-5-3-7-14-11-16-18-13(9-10-19(16)2)6-4-8-15(18)17(12)14/h3-8,16H,9-11H2,1-2H3/t16-/m1/s1
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PC cid
PC sid
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Similars

PubMed
201n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured on cloned Human D2A Receptor which is labeled by [3H]-Raclopride


J Med Chem 43: 1339-49 (2001)


BindingDB Entry DOI: 10.7270/Q2RJ4HQ3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50052867
PNG
((R)-6,11-Dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[d...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(C)c-31
Show InChI InChI=1S/C18H19N/c1-12-5-3-7-14-11-16-18-13(9-10-19(16)2)6-4-8-15(18)17(12)14/h3-8,16H,9-11H2,1-2H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
201n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human Dopamine receptor D2A


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair