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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50139861'   
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))
BDBM50139861
PNG
(CHEMBL3764557 | US10577361, E7)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
Show InChI InChI=1S/C21H24F3N5O2S/c1-14-18(31-13-25-14)19-26-27-20(28(19)2)32-11-3-8-29-9-10-30-17(12-29)15-4-6-16(7-5-15)21(22,23)24/h4-7,13,17H,3,8-12H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells after 90 mins by [35S]-GTPgamma S assay


Bioorg Med Chem Lett 26: 1329-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.081
BindingDB Entry DOI: 10.7270/Q2HM5B83
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50139861
PNG
(CHEMBL3764557 | US10577361, E7)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
Show InChI InChI=1S/C21H24F3N5O2S/c1-14-18(31-13-25-14)19-26-27-20(28(19)2)32-11-3-8-29-9-10-30-17(12-29)15-4-6-16(7-5-15)21(22,23)24/h4-7,13,17H,3,8-12H2,1-2H3
KEGG

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125n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [125I]-7-OH-PIPAT from rat brain dopamine D3 receptor after 45 mins by microplate scintillation counting analysis


Bioorg Med Chem Lett 26: 1329-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.081
BindingDB Entry DOI: 10.7270/Q2HM5B83
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50139861
PNG
(CHEMBL3764557 | US10577361, E7)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
Show InChI InChI=1S/C21H24F3N5O2S/c1-14-18(31-13-25-14)19-26-27-20(28(19)2)32-11-3-8-29-9-10-30-17(12-29)15-4-6-16(7-5-15)21(22,23)24/h4-7,13,17H,3,8-12H2,1-2H3
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US Patent
126n/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 US10577361 (2020)


BindingDB Entry DOI: 10.7270/Q2GQ715H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50139861
PNG
(CHEMBL3764557 | US10577361, E7)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
Show InChI InChI=1S/C21H24F3N5O2S/c1-14-18(31-13-25-14)19-26-27-20(28(19)2)32-11-3-8-29-9-10-30-17(12-29)15-4-6-16(7-5-15)21(22,23)24/h4-7,13,17H,3,8-12H2,1-2H3
KEGG

UniProtKB/SwissProt

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PC sid
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126n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D3 receptor expressed in CHO cells after 90 mins by [35S]-GTPgamma S assay


Bioorg Med Chem Lett 26: 1329-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.081
BindingDB Entry DOI: 10.7270/Q2HM5B83
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50139861
PNG
(CHEMBL3764557 | US10577361, E7)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
Show InChI InChI=1S/C21H24F3N5O2S/c1-14-18(31-13-25-14)19-26-27-20(28(19)2)32-11-3-8-29-9-10-30-17(12-29)15-4-6-16(7-5-15)21(22,23)24/h4-7,13,17H,3,8-12H2,1-2H3
PDB

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antibodypedia
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Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D3 receptor expressed in CHO cells after 90 mins by [35S]-GTPgamma S assay


Bioorg Med Chem Lett 26: 1329-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.081
BindingDB Entry DOI: 10.7270/Q2HM5B83
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50139861
PNG
(CHEMBL3764557 | US10577361, E7)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
Show InChI InChI=1S/C21H24F3N5O2S/c1-14-18(31-13-25-14)19-26-27-20(28(19)2)32-11-3-8-29-9-10-30-17(12-29)15-4-6-16(7-5-15)21(22,23)24/h4-7,13,17H,3,8-12H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG potassium channel by scintillation proximity assay


Bioorg Med Chem Lett 26: 1329-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.081
BindingDB Entry DOI: 10.7270/Q2HM5B83
More data for this
Ligand-Target Pair