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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50369174'   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50369174
PNG
(CHEMBL94015 | PD-128907)
Show SMILES CCCN1COC[C@H]2[C@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-9-17-7-12-11-6-10(16)3-4-14(11)18-8-13(12)15/h3-4,6,12-13,16H,2,5,7-9H2,1H3/t12-,13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50369174
PNG
(CHEMBL94015 | PD-128907)
Show SMILES CCCN1COC[C@H]2[C@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-9-17-7-12-11-6-10(16)3-4-14(11)18-8-13(12)15/h3-4,6,12-13,16H,2,5,7-9H2,1H3/t12-,13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
25n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested for the ability to displace [125I]iodosulpiride from human cloned Dopamine receptor D3, expressed in CHO cells


Bioorg Med Chem Lett 9: 2715-20 (1999)


BindingDB Entry DOI: 10.7270/Q23X88TZ
More data for this
Ligand-Target Pair