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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50192447   
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))
BDBM50192447
PNG
(CHEMBL3975989 | US10239870, Example 53)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccccc3C(F)(F)F)C2)n1C |r|
Show InChI InChI=1S/C23H26F3N5OS/c1-15-19(32-14-27-15)20-28-29-21(30(20)2)33-11-5-9-31-10-8-22(13-31)12-18(22)16-6-3-4-7-17(16)23(24,25)26/h3-4,6-7,14,18H,5,8-13H2,1-2H3/t18-,22-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem

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Article
PubMed
0.550n/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 counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50192447
PNG
(CHEMBL3975989 | US10239870, Example 53)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccccc3C(F)(F)F)C2)n1C |r|
Show InChI InChI=1S/C23H26F3N5OS/c1-15-19(32-14-27-15)20-28-29-21(30(20)2)33-11-5-9-31-10-8-22(13-31)12-18(22)16-6-3-4-7-17(16)23(24,25)26/h3-4,6-7,14,18H,5,8-13H2,1-2H3/t18-,22-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
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PC sid
UniChem

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US Patent
0.550n/an/an/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


J Med Chem 51: 2816-32 (2008)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50192447
PNG
(CHEMBL3975989 | US10239870, Example 53)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccccc3C(F)(F)F)C2)n1C |r|
Show InChI InChI=1S/C23H26F3N5OS/c1-15-19(32-14-27-15)20-28-29-21(30(20)2)33-11-5-9-31-10-8-22(13-31)12-18(22)16-6-3-4-7-17(16)23(24,25)26/h3-4,6-7,14,18H,5,8-13H2,1-2H3/t18-,22-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
63n/an/an/an/an/an/an/an/a



Aptuit s.r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes coexpressing Galpha16 after 120 mins by liquid scin...


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50192447
PNG
(CHEMBL3975989 | US10239870, Example 53)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccccc3C(F)(F)F)C2)n1C |r|
Show InChI InChI=1S/C23H26F3N5OS/c1-15-19(32-14-27-15)20-28-29-21(30(20)2)33-11-5-9-31-10-8-22(13-31)12-18(22)16-6-3-4-7-17(16)23(24,25)26/h3-4,6-7,14,18H,5,8-13H2,1-2H3/t18-,22-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
63.1n/an/an/an/an/an/an/an/a



Georgia Institute of Technology



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


J Med Chem 51: 2816-32 (2008)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
More data for this
Ligand-Target Pair