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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 = 'BDBM50097670'   
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))
BDBM50097670
PNG
(CHEMBL3590082)
Show SMILES CCCN(CCCCNC(=O)\N=N\c1ccc(F)c(F)c1)C1Cc2ccccc2C1
Show InChI InChI=1S/C23H28F2N4O/c1-2-12-29(20-14-17-7-3-4-8-18(17)15-20)13-6-5-11-26-23(30)28-27-19-9-10-21(24)22(25)16-19/h3-4,7-10,16,20H,2,5-6,11-15H2,1H3,(H,26,30)/b28-27+
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PC sid
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Article
PubMed
2n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem 23: 3938-47 (2015)


Article DOI: 10.1016/j.bmc.2014.12.012
BindingDB Entry DOI: 10.7270/Q20K2BBV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50097670
PNG
(CHEMBL3590082)
Show SMILES CCCN(CCCCNC(=O)\N=N\c1ccc(F)c(F)c1)C1Cc2ccccc2C1
Show InChI InChI=1S/C23H28F2N4O/c1-2-12-29(20-14-17-7-3-4-8-18(17)15-20)13-6-5-11-26-23(30)28-27-19-9-10-21(24)22(25)16-19/h3-4,7-10,16,20H,2,5-6,11-15H2,1H3,(H,26,30)/b28-27+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 6.10n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Activation of wild type human dopamine D3 receptor expressed in HEK293 cells co-expressing GaqG66Di5- incubated for 120 mins by scintillation countin...


Bioorg Med Chem 23: 3938-47 (2015)


Article DOI: 10.1016/j.bmc.2014.12.012
BindingDB Entry DOI: 10.7270/Q20K2BBV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50097670
PNG
(CHEMBL3590082)
Show SMILES CCCN(CCCCNC(=O)\N=N\c1ccc(F)c(F)c1)C1Cc2ccccc2C1
Show InChI InChI=1S/C23H28F2N4O/c1-2-12-29(20-14-17-7-3-4-8-18(17)15-20)13-6-5-11-26-23(30)28-27-19-9-10-21(24)22(25)16-19/h3-4,7-10,16,20H,2,5-6,11-15H2,1H3,(H,26,30)/b28-27+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 79n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Activation of human dopamine D3 receptor L89K mutant expressed in HEK293 cells co-expressing GaqG66Di5- incubated for 120 mins by scintillation count...


Bioorg Med Chem 23: 3938-47 (2015)


Article DOI: 10.1016/j.bmc.2014.12.012
BindingDB Entry DOI: 10.7270/Q20K2BBV
More data for this
Ligand-Target Pair