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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50378015'   
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))
BDBM50378015
PNG
(CHEMBL1627307)
Show SMILES O[C@@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m0/s1
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Article
PubMed
3.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counti...


ACS Med Chem Lett 5: 647-51 (2014)


Article DOI: 10.1021/ml500006v
BindingDB Entry DOI: 10.7270/Q2QC053B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378015
PNG
(CHEMBL1627307)
Show SMILES O[C@@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m0/s1
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PubMed
16.6n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378015
PNG
(CHEMBL1627307)
Show SMILES O[C@@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m0/s1
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Article
PubMed
17n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by MicroBeta microplate counting method


J Med Chem 60: 580-593 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01148
BindingDB Entry DOI: 10.7270/Q2PV6NVS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378015
PNG
(CHEMBL1627307)
Show SMILES O[C@@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m0/s1
PDB

UniProtKB/SwissProt

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Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in HEK293 cells assessed as inhibition of quinpirole-stimulated mitogenesis


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair