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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 = 'BDBM50139863'   
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))
BDBM50139863
PNG
(CHEMBL3764586 | US10577361, E34)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2F)C(F)(F)F)n1C
Show InChI InChI=1S/C21H23F4N5O2S/c1-13-18(32-12-26-13)19-27-28-20(29(19)2)33-9-3-6-30-7-8-31-17(11-30)15-5-4-14(10-16(15)22)21(23,24)25/h4-5,10,12,17H,3,6-9,11H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem

Patents


Similars

US Patent
195n/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))
BDBM50139863
PNG
(CHEMBL3764586 | US10577361, E34)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2F)C(F)(F)F)n1C
Show InChI InChI=1S/C21H23F4N5O2S/c1-13-18(32-12-26-13)19-27-28-20(29(19)2)33-9-3-6-30-7-8-31-17(11-30)15-5-4-14(10-16(15)22)21(23,24)25/h4-5,10,12,17H,3,6-9,11H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
200n/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))
BDBM50139863
PNG
(CHEMBL3764586 | US10577361, E34)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2F)C(F)(F)F)n1C
Show InChI InChI=1S/C21H23F4N5O2S/c1-13-18(32-12-26-13)19-27-28-20(29(19)2)33-9-3-6-30-7-8-31-17(11-30)15-5-4-14(10-16(15)22)21(23,24)25/h4-5,10,12,17H,3,6-9,11H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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