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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'kawaharada' and Initial = 's'   
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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM403740
PNG
(6-Chloro-7-((3-(cyclopropylmethyl)-7-methyl-3H-imi...)
Show SMILES CN1C(=O)COc2cc(Nc3cc(C)c4ncn(CC5CC5)c4n3)c(Cl)cc12
Show InChI InChI=1S/C20H20ClN5O2/c1-11-5-17(24-20-19(11)22-10-26(20)8-12-3-4-12)23-14-7-16-15(6-13(14)21)25(2)18(27)9-28-16/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,23,24)
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0.900n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

US Patent


Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...


US Patent US10016439 (2018)


BindingDB Entry DOI: 10.7270/Q2NC63J0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM400239
PNG
(7-((1-(2-Cyclopropylethyl)-5-fluoro-1H-benzo[d]imi...)
Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CCC5CC5)cnc4cc3F)cnc12
Show InChI InChI=1S/C20H20FN5O2/c1-25-19(27)10-28-18-6-13(9-22-20(18)25)24-15-8-17-16(7-14(15)21)23-11-26(17)5-4-12-2-3-12/h6-9,11-12,24H,2-5,10H2,1H3
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4.10n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

US Patent


Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...


US Patent US10016439 (2018)


BindingDB Entry DOI: 10.7270/Q2NC63J0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM400243
PNG
(6-((3-(Cyclopropylmethyl)-7-methyl-3H-imidazo[4,5-...)
Show SMILES CN1C(=O)COc2nc(Nc3cc(C)c4ncn(CC5CC5)c4n3)ccc12
Show InChI InChI=1S/C19H20N6O2/c1-11-7-15(22-18-17(11)20-10-25(18)8-12-3-4-12)21-14-6-5-13-19(23-14)27-9-16(26)24(13)2/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,21,22,23)
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6.40n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

US Patent


Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...


US Patent US10016439 (2018)


BindingDB Entry DOI: 10.7270/Q2NC63J0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM400238
PNG
(7-((1-((3,3-Difluorocyclobutyl)methyl)-5-fluoro-1H...)
Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC(F)(F)C5)cnc4cc3F)cnc12
Show InChI InChI=1S/C20H18F3N5O2/c1-27-18(29)9-30-17-2-12(7-24-19(17)27)26-14-4-16-15(3-13(14)21)25-10-28(16)8-11-5-20(22,23)6-11/h2-4,7,10-11,26H,5-6,8-9H2,1H3
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6.70n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

US Patent


Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...


US Patent US10016439 (2018)


BindingDB Entry DOI: 10.7270/Q2NC63J0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM400240
PNG
(7-((1-(Cyclopropylmethyl)-5-fluoro-4-methyl-1H-ben...)
Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4c(C)c3F)cnc12
Show InChI InChI=1S/C20H20FN5O2/c1-11-18(21)14(6-15-19(11)23-10-26(15)8-12-3-4-12)24-13-5-16-20(22-7-13)25(2)17(27)9-28-16/h5-7,10,12,24H,3-4,8-9H2,1-2H3
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11.8n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

US Patent


Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...


US Patent US10016439 (2018)


BindingDB Entry DOI: 10.7270/Q2NC63J0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM400242
PNG
(N-(6-(1H-Imidazol-1-yl)pyridin-3-yl)-3-(cyclopropy...)
Show SMILES Cc1cc(Nc2ccc(nc2)-n2ccnc2)nc2n(CC3CC3)cnc12
Show InChI InChI=1S/C19H19N7/c1-13-8-16(24-19-18(13)22-12-26(19)10-14-2-3-14)23-15-4-5-17(21-9-15)25-7-6-20-11-25/h4-9,11-12,14H,2-3,10H2,1H3,(H,23,24)
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18.4n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

US Patent


Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...


US Patent US10016439 (2018)


BindingDB Entry DOI: 10.7270/Q2NC63J0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM400234
PNG
(7-((1-(Cyclopropylmethyl)-1H-imidazo[4,5-b]pyrazin...)
Show SMILES CN1C(=O)COc2cc(Nc3cnc4ncn(CC5CC5)c4n3)ccc12
Show InChI InChI=1S/C18H18N6O2/c1-23-13-5-4-12(6-14(13)26-9-16(23)25)21-15-7-19-17-18(22-15)24(10-20-17)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)
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24n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

US Patent


Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...


US Patent US10016439 (2018)


BindingDB Entry DOI: 10.7270/Q2NC63J0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM400241
PNG
(7-((3-(Cyclopropylmethyl)-3H-imidazo[4,5-b]pyridin...)
Show SMILES CN1C(=O)COc2ncc(Nc3ccc4ncn(CC5CC5)c4n3)cc12
Show InChI InChI=1S/C18H18N6O2/c1-23-14-6-12(7-19-18(14)26-9-16(23)25)21-15-5-4-13-17(22-15)24(10-20-13)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)
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34.6n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

US Patent


Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...


US Patent US10016439 (2018)


BindingDB Entry DOI: 10.7270/Q2NC63J0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM400236
PNG
(7-((9-(Cyclopropylmethyl)-9H-purin-2-yl)amino)-4-(...)
Show SMILES COCCN1C(=O)COc2cc(Nc3ncc4ncn(CC5CC5)c4n3)ccc12
Show InChI InChI=1S/C20H22N6O3/c1-28-7-6-26-16-5-4-14(8-17(16)29-11-18(26)27)23-20-21-9-15-19(24-20)25(12-22-15)10-13-2-3-13/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,21,23,24)
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38n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

US Patent


Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...


US Patent US10016439 (2018)


BindingDB Entry DOI: 10.7270/Q2NC63J0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM400233
PNG
(4-Cyclopropyl-7-((1-(cyclopropylmethyl)-1H-imidazo...)
Show SMILES O=C1COc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc2N1C1CC1
Show InChI InChI=1S/C21H21N5O2/c27-21-11-28-19-7-14(3-6-17(19)26(21)15-4-5-15)24-20-8-18-16(9-22-20)23-12-25(18)10-13-1-2-13/h3,6-9,12-13,15H,1-2,4-5,10-11H2,(H,22,24)
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38.8n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

US Patent


Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...


US Patent US10016439 (2018)


BindingDB Entry DOI: 10.7270/Q2NC63J0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM400235
PNG
(6-((1-(Cyclopropylmethyl)-1H-imidazo[4,5-b]pyrazin...)
Show SMILES Cn1c2ccc(Nc3cnc4ncn(CC5CC5)c4n3)cc2oc1=O
Show InChI InChI=1S/C17H16N6O2/c1-22-12-5-4-11(6-13(12)25-17(22)24)20-14-7-18-15-16(21-14)23(9-19-15)8-10-2-3-10/h4-7,9-10H,2-3,8H2,1H3,(H,20,21)
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42n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

US Patent


Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...


US Patent US10016439 (2018)


BindingDB Entry DOI: 10.7270/Q2NC63J0
More data for this
Ligand-Target Pair