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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 = 'BDBM50061642'   
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))
BDBM50061642
PNG
((S)-3-(Benzylamino-methyl)-2,3-dihydro-benzo[1,4]d...)
Show SMILES Oc1ccc2OC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C16H17NO3/c18-13-6-7-15-16(8-13)20-14(11-19-15)10-17-9-12-4-2-1-3-5-12/h1-8,14,17-18H,9-11H2/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D3 (hD3) using [3H]spiperone radioligand.


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50061642
PNG
((S)-3-(Benzylamino-methyl)-2,3-dihydro-benzo[1,4]d...)
Show SMILES Oc1ccc2OC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C16H17NO3/c18-13-6-7-15-16(8-13)20-14(11-19-15)10-17-9-12-4-2-1-3-5-12/h1-8,14,17-18H,9-11H2/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned dopamine (hD3) receptor expressed in CHO cells using [3H]-spiperone as radioligand


Bioorg Med Chem Lett 8: 295-300 (1999)


BindingDB Entry DOI: 10.7270/Q28W3CG1
More data for this
Ligand-Target Pair