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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 194794   
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))
BDBM194794
PNG
(US9206167, 15 | USRE48059, Compound of Example 15)
Show SMILES O=C1CCc2ccc(OC\C=C\CN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h1-6,8,10,17-18H,7,9,11-16H2,(H,26,29)/b2-1+
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PC sid
UniChem
US Patent
0.200n/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


(Rattus norvegicus (rat))
BDBM194794
PNG
(US9206167, 15 | USRE48059, Compound of Example 15)
Show SMILES O=C1CCc2ccc(OC\C=C\CN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h1-6,8,10,17-18H,7,9,11-16H2,(H,26,29)/b2-1+
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US Patent
0.200 -55.4n/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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM194794
PNG
(US9206167, 15 | USRE48059, Compound of Example 15)
Show SMILES O=C1CCc2ccc(OC\C=C\CN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h1-6,8,10,17-18H,7,9,11-16H2,(H,26,29)/b2-1+
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US Patent
3.30n/an/an/an/an/an/an/an/a



Otsuka Pharmaceutical Co., Ltd.

US Patent


Assay Description
5-HT2A: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-Ketanserin (final concentration 1 to 3 nM), 20 ...


US Patent USRE48059 (2020)


BindingDB Entry DOI: 10.7270/Q2833W3C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM194794
PNG
(US9206167, 15 | USRE48059, Compound of Example 15)
Show SMILES O=C1CCc2ccc(OC\C=C\CN3CCN(CC3)c3cccc4sccc34)cc2N1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h1-6,8,10,17-18H,7,9,11-16H2,(H,26,29)/b2-1+
PDB

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US Patent
3.30 -50.4n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...


US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair