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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50237166'   
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))
BDBM50237166
PNG
(CHEMBL4097330)
Show SMILES CCCN(CCCCOc1ccc2ccnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H31N3O2/c1-2-14-26(21-9-11-23-19(17-21)6-5-7-24(23)28)15-3-4-16-29-22-10-8-20-12-13-25-27(20)18-22/h5-8,10,12-13,18,21,28H,2-4,9,11,14-17H2,1H3/t21-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.710n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237166
PNG
(CHEMBL4097330)
Show SMILES CCCN(CCCCOc1ccc2ccnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H31N3O2/c1-2-14-26(21-9-11-23-19(17-21)6-5-7-24(23)28)15-3-4-16-29-22-10-8-20-12-13-25-27(20)18-22/h5-8,10,12-13,18,21,28H,2-4,9,11,14-17H2,1H3/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.479n/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237166
PNG
(CHEMBL4097330)
Show SMILES CCCN(CCCCOc1ccc2ccnn2c1)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H31N3O2/c1-2-14-26(21-9-11-23-19(17-21)6-5-7-24(23)28)15-3-4-16-29-22-10-8-20-12-13-25-27(20)18-22/h5-8,10,12-13,18,21,28H,2-4,9,11,14-17H2,1H3/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.480n/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...


J Med Chem 60: 2908-2929 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01857
BindingDB Entry DOI: 10.7270/Q2CJ8GR7
More data for this
Ligand-Target Pair