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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM194808'   
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


(Rattus norvegicus (rat))
BDBM194808
PNG
(US10501452, Compound B | US9206167, 30 | USRE48059...)
Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3
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PC sid
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US Patent
0.700 -52.3n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...


US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM194808
PNG
(US10501452, Compound B | US9206167, 30 | USRE48059...)
Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3
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UniChem
US Patent
0.700n/an/an/an/an/an/an/an/a



Otsuka Pharmaceutical Co., Ltd.

US Patent


Assay Description
Dopamine D2: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-raclopride (final concentration 1 to 2 nM)...


US Patent USRE48059 (2020)


BindingDB Entry DOI: 10.7270/Q2833W3C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM194808
PNG
(US10501452, Compound B | US9206167, 30 | USRE48059...)
Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3
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antibodypedia
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US Patent
15.1n/an/an/an/an/an/an/an/a



NHWA PHARMA. CORPORATION

US Patent


Assay Description
D2:Procedures(1) The prepared membrane was applied with appropriate amount of buffer, and homogenizer was used for evenly dispersing. 15 tubes were m...


US Patent US10501452 (2019)


BindingDB Entry DOI: 10.7270/Q2BK1FR6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM194808
PNG
(US10501452, Compound B | US9206167, 30 | USRE48059...)
Show SMILES CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
Show InChI InChI=1S/C25H29N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-7,9,17-18H,3,8,10-16H2,1H3
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PC cid
PC sid
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Article
PubMed
29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]spiperone from D2 receptor in rat striatum measured after 15 mins by liquid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112709
BindingDB Entry DOI: 10.7270/Q2XK8K6M
More data for this
Ligand-Target Pair