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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 = 'BDBM50087028'   
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))
BDBM50087028
PNG
((1R,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-ben...)
Show SMILES CN1CCc2ccc3[C@H](O)c4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H17NO/c1-19-8-7-10-5-6-13-17-15-11(9-14(19)16(10)17)3-2-4-12(15)18(13)20/h2-6,14,18,20H,7-9H2,1H3/t14-,18-/m1/s1
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PC cid
PC sid
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Similars

PubMed
23.8n/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 43: 1339-49 (2001)


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


(Rattus norvegicus (rat))
BDBM50087028
PNG
((1R,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-ben...)
Show SMILES CN1CCc2ccc3[C@H](O)c4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H17NO/c1-19-8-7-10-5-6-13-17-15-11(9-14(19)16(10)17)3-2-4-12(15)18(13)20/h2-6,14,18,20H,7-9H2,1H3/t14-,18-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat dopamine D2 receptor


J Med Chem 50: 171-81 (2007)


Article DOI: 10.1021/jm060959i
BindingDB Entry DOI: 10.7270/Q22J6CPJ
More data for this
Ligand-Target Pair