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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 = 'BDBM50154900'   
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))
BDBM50154900
PNG
(CHEMBL3775005 | US10273244, Example 30 | US1058413...)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2cccc(F)c2)n1C
Show InChI InChI=1S/C22H27FN6OS/c1-15-20(30-14-24-15)21-25-26-22(27(21)2)31-10-4-8-28-12-16-7-9-29(19(16)13-28)18-6-3-5-17(23)11-18/h3,5-6,11,14,16,19H,4,7-10,12-13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PC sid
UniChem

Similars

US Patent
2.95n/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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154900
PNG
(CHEMBL3775005 | US10273244, Example 30 | US1058413...)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2cccc(F)c2)n1C
Show InChI InChI=1S/C22H27FN6OS/c1-15-20(30-14-24-15)21-25-26-22(27(21)2)31-10-4-8-28-12-16-7-9-29(19(16)13-28)18-6-3-5-17(23)11-18/h3,5-6,11,14,16,19H,4,7-10,12-13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
2.95n/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))
BDBM50154900
PNG
(CHEMBL3775005 | US10273244, Example 30 | US1058413...)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2cccc(F)c2)n1C
Show InChI InChI=1S/C22H27FN6OS/c1-15-20(30-14-24-15)21-25-26-22(27(21)2)31-10-4-8-28-12-16-7-9-29(19(16)13-28)18-6-3-5-17(23)11-18/h3,5-6,11,14,16,19H,4,7-10,12-13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20n/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