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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50032522   
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(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50032522
PNG
((6aR,12bS)-2-Methyl-5,6,6a,7,8,12b-hexahydro-benzo...)
Show SMILES Cc1ccc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1
Show InChI InChI=1S/C18H19NO2/c1-10-2-3-12-9-19-15-5-4-11-7-16(20)17(21)8-14(11)18(15)13(12)6-10/h2-3,6-8,15,18-21H,4-5,9H2,1H3/t15-,18-/m1/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
8.70n/an/an/an/an/an/an/an/a



Quimique C£a. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Eur J Med Chem 48: 97-107 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.039
BindingDB Entry DOI: 10.7270/Q22V2GK1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50032522
PNG
((6aR,12bS)-2-Methyl-5,6,6a,7,8,12b-hexahydro-benzo...)
Show SMILES Cc1ccc2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3c2c1
Show InChI InChI=1S/C18H19NO2/c1-10-2-3-12-9-19-15-5-4-11-7-16(20)17(21)8-14(11)18(15)13(12)6-10/h2-3,6-8,15,18-21H,4-5,9H2,1H3/t15-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
302n/an/an/an/an/an/an/an/a



Quimique C£a. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Eur J Med Chem 48: 97-107 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.039
BindingDB Entry DOI: 10.7270/Q22V2GK1
More data for this
Ligand-Target Pair