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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 = 'BDBM50154867'   
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))
BDBM50154867
PNG
(CHEMBL3775810 | US10273244, Example 134 | US105841...)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-7-9-27-15-28-19)29-30-22(31)34-12-2-10-32-13-16-8-11-33(20(16)14-32)18-5-3-17(4-6-18)23(24,25)26/h3-7,9,15-16,20H,2,8,10-14H2,1H3
PDB

UniProtKB/SwissProt

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Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154867
PNG
(CHEMBL3775810 | US10273244, Example 134 | US105841...)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-7-9-27-15-28-19)29-30-22(31)34-12-2-10-32-13-16-8-11-33(20(16)14-32)18-5-3-17(4-6-18)23(24,25)26/h3-7,9,15-16,20H,2,8,10-14H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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US Patent
1.32n/an/an/an/an/an/an/an/a



INDIVIOR UK LIMITED

US Patent


Assay Description
[3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD...


US Patent US10584135 (2020)


BindingDB Entry DOI: 10.7270/Q29S1TFG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154867
PNG
(CHEMBL3775810 | US10273244, Example 134 | US105841...)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(19-7-9-27-15-28-19)29-30-22(31)34-12-2-10-32-13-16-8-11-33(20(16)14-32)18-5-3-17(4-6-18)23(24,25)26/h3-7,9,15-16,20H,2,8,10-14H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
1.32n/an/an/an/an/an/an/an/a



IRBM/Merck



Assay Description
3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD3...


Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2RN3B5H
More data for this
Ligand-Target Pair