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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50139854'   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50139854
PNG
(CHEMBL3763200 | US10577361, E17)
Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1
Show InChI InChI=1S/C22H24F3N5OS/c1-29-20(17-7-9-26-10-8-17)27-28-21(29)32-14-2-11-30-12-13-31-19(15-30)16-3-5-18(6-4-16)22(23,24)25/h3-10,19H,2,11-15H2,1H3
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PC cid
PC sid
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Similars

US Patent
1.17E+4n/an/an/an/an/an/an/an/a



INDIVIOR UK LIMITED

US Patent


Assay Description
CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to Gα16 protein (CHO-Gα16-hD2L) were re-suspended ...


US Patent US10577361 (2020)


BindingDB Entry DOI: 10.7270/Q2GQ715H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50139854
PNG
(CHEMBL3763200 | US10577361, E17)
Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1
Show InChI InChI=1S/C22H24F3N5OS/c1-29-20(17-7-9-26-10-8-17)27-28-21(29)32-14-2-11-30-12-13-31-19(15-30)16-3-5-18(6-4-16)22(23,24)25/h3-10,19H,2,11-15H2,1H3
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antibodypedia
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PC sid
UniChem

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Article
PubMed
1.26E+4n/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 D2 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