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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50528925'   
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))
BDBM50528925
PNG
(CHEMBL4540218)
Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C26H30N4O4/c1-19-17-23(25(27)31)24(33-19)20-7-5-10-22(18-20)34-26(32)28-11-6-12-29-13-15-30(16-14-29)21-8-3-2-4-9-21/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,27,31)(H,28,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50528925
PNG
(CHEMBL4540218)
Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C26H30N4O4/c1-19-17-23(25(27)31)24(33-19)20-7-5-10-22(18-20)34-26(32)28-11-6-12-29-13-15-30(16-14-29)21-8-3-2-4-9-21/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,27,31)(H,28,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111674
BindingDB Entry DOI: 10.7270/Q2FR012J
More data for this
Ligand-Target Pair