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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 = 'BDBM50343787'   
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))
BDBM50343787
PNG
(CHEMBL1774383 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1
Show InChI InChI=1S/C27H31FN4O2/c1-34-26-8-3-2-7-25(26)32-18-16-31(17-19-32)20-23(28)13-15-30-27(33)22-11-9-21(10-12-22)24-6-4-5-14-29-24/h2-12,14,23H,13,15-20H2,1H3,(H,30,33)
PDB

UniProtKB/SwissProt

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PC sid
UniChem

Similars

Article
PubMed
20.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50343787
PNG
(CHEMBL1774383 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1
Show InChI InChI=1S/C27H31FN4O2/c1-34-26-8-3-2-7-25(26)32-18-16-31(17-19-32)20-23(28)13-15-30-27(33)22-11-9-21(10-12-22)24-6-4-5-14-29-24/h2-12,14,23H,13,15-20H2,1H3,(H,30,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 390n/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 CHOp cells assessed as inhibition of quinopirole-induced mitogenisis


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50343787
PNG
(CHEMBL1774383 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1
Show InChI InChI=1S/C27H31FN4O2/c1-34-26-8-3-2-7-25(26)32-18-16-31(17-19-32)20-23(28)13-15-30-27(33)22-11-9-21(10-12-22)24-6-4-5-14-29-24/h2-12,14,23H,13,15-20H2,1H3,(H,30,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 699n/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-K1 cells assessed as inhibition of dopamine-induced recruitment of beta-arrestin-2...


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair