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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 = 'BDBM50104923'   
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))
BDBM50104923
PNG
(CHEMBL3597643)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C27H30N4O/c32-27(25-20-22-9-2-4-12-24(22)29-25)28-14-5-6-15-30-16-18-31(19-17-30)26-13-7-10-21-8-1-3-11-23(21)26/h1-4,7-13,20,29H,5-6,14-19H2,(H,28,32)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.118n/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 (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50104923
PNG
(CHEMBL3597643)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C27H30N4O/c32-27(25-20-22-9-2-4-12-24(22)29-25)28-14-5-6-15-30-16-18-31(19-17-30)26-13-7-10-21-8-1-3-11-23(21)26/h1-4,7-13,20,29H,5-6,14-19H2,(H,28,32)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


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


J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50104923
PNG
(CHEMBL3597643)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C27H30N4O/c32-27(25-20-22-9-2-4-12-24(22)29-25)28-14-5-6-15-30-16-18-31(19-17-30)26-13-7-10-21-8-1-3-11-23(21)26/h1-4,7-13,20,29H,5-6,14-19H2,(H,28,32)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 140n/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D3 receptor expressed in CHO cells assessed as stimulation of quinpirole-stimulated mitogenesis


J Med Chem 58: 6195-213 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair