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Found 474 hits Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 (GABA(A))


(Homo sapiens (Human))
BDBM133600
PNG
(US8846719, 311)
Show SMILES Cc1onc(c1COC(O)Cc1ccc(cn1)C(N)=O)-c1ccc(Cl)cn1
Show InChI InChI=1/C18H17ClN4O4/c1-10-14(17(23-27-10)15-5-3-12(19)8-22-15)9-26-16(24)6-13-4-2-11(7-21-13)18(20)25/h2-5,7-8,16,24H,6,9H2,1H3,(H2,20,25)
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US Patent
0.100n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133597
PNG
(US8846719, 308)
Show SMILES Cc1onc(c1COC(c1ccc(cn1)C(N)=O)C(F)(F)F)-c1ccc(Cl)cn1
Show InChI InChI=1/C18H14ClF3N4O3/c1-9-12(15(26-29-9)13-5-3-11(19)7-25-13)8-28-16(18(20,21)22)14-4-2-10(6-24-14)17(23)27/h2-7,16H,8H2,1H3,(H2,23,27)
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0.200n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM10484
PNG
(US8846719, 301)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(Cl)cn1
Show InChI InChI=1S/C21H21ClN4O4/c1-13-17(20(26-30-13)18-4-3-15(22)11-23-18)12-29-19-5-2-14(10-24-19)21(27)25-16-6-8-28-9-7-16/h2-5,10-11,16H,6-9,12H2,1H3,(H,25,27)
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0.300n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM10467
PNG
(US8846719, 294)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NCC(F)(F)F)-c1ccc(F)cn1
Show InChI InChI=1S/C18H14F4N4O3/c1-10-13(16(26-29-10)14-4-3-12(19)7-23-14)8-28-15-5-2-11(6-24-15)17(27)25-9-18(20,21)22/h2-7H,8-9H2,1H3,(H,25,27)
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0.300n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133596
PNG
(US8846719, 306)
Show SMILES Cc1onc(c1COC(C1CC1)c1ccc(cn1)C(N)=O)-c1ccc(Cl)cn1
Show InChI InChI=1/C20H19ClN4O3/c1-11-15(18(25-28-11)16-7-5-14(21)9-24-16)10-27-19(12-2-3-12)17-6-4-13(8-23-17)20(22)26/h4-9,12,19H,2-3,10H2,1H3,(H2,22,26)
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0.300n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM10517
PNG
(US8846719, 302)
Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(Cl)cn2)nc1
Show InChI InChI=1S/C19H19ClN4O3/c1-11(2)23-19(25)13-4-7-17(22-8-13)26-10-15-12(3)27-24-18(15)16-6-5-14(20)9-21-16/h4-9,11H,10H2,1-3H3,(H,23,25)
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0.300n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM10673
PNG
(US8846719, 289)
Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2C2CCC(F)CN2)nc1
Show InChI InChI=1/C19H25FN4O3/c1-11(2)23-19(25)13-4-7-17(22-8-13)26-10-15-12(3)27-24-18(15)16-6-5-14(20)9-21-16/h4,7-8,11,14,16,21H,5-6,9-10H2,1-3H3,(H,23,25)
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0.300n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM10521
PNG
(US8846719, 303)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CC1)-c1ccc(Cl)cn1
Show InChI InChI=1S/C19H17ClN4O3/c1-11-15(18(24-27-11)16-6-3-13(20)9-21-16)10-26-17-7-2-12(8-22-17)19(25)23-14-4-5-14/h2-3,6-9,14H,4-5,10H2,1H3,(H,23,25)
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US Patent
0.300n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133599
PNG
(US8846719, 310)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)N1CCSCC1)-c1ccc(Cl)cn1
Show InChI InChI=1S/C20H19ClN4O3S/c1-13-16(19(24-28-13)17-4-3-15(21)11-22-17)12-27-18-5-2-14(10-23-18)20(26)25-6-8-29-9-7-25/h2-5,10-11H,6-9,12H2,1H3
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US Patent
0.400n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM10468
PNG
(US8846719, 295)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NCCO)-c1ccc(F)cn1
Show InChI InChI=1S/C18H17FN4O4/c1-11-14(17(23-27-11)15-4-3-13(19)9-21-15)10-26-16-5-2-12(8-22-16)18(25)20-6-7-24/h2-5,8-9,24H,6-7,10H2,1H3,(H,20,25)
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0.400n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM10672
PNG
(US8846719, 288)
Show SMILES Cc1onc(C2CCC(F)CN2)c1COc1ccc(cn1)C(=O)NC1CCOCC1
Show InChI InChI=1/C21H27FN4O4/c1-13-17(20(26-30-13)18-4-3-15(22)11-23-18)12-29-19-5-2-14(10-24-19)21(27)25-16-6-8-28-9-7-16/h2,5,10,15-16,18,23H,3-4,6-9,11-12H2,1H3,(H,25,27)
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0.400n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133578
PNG
(US8846719, 270)
Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(Cl)cc2F)nc1
Show InChI InChI=1S/C20H19ClFN3O3/c1-11(2)24-20(26)13-4-7-18(23-9-13)27-10-16-12(3)28-25-19(16)15-6-5-14(21)8-17(15)22/h4-9,11H,10H2,1-3H3,(H,24,26)
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0.400n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM10711
PNG
(US8846719, 292)
Show SMILES Cc1onc(C2CCC(F)CN2)c1COc1ccc(cn1)C(=O)NCC1CC1
Show InChI InChI=1/C20H25FN4O3/c1-12-16(19(25-28-12)17-6-5-15(21)10-22-17)11-27-18-7-4-14(9-23-18)20(26)24-8-13-2-3-13/h4,7,9,13,15,17,22H,2-3,5-6,8,10-11H2,1H3,(H,24,26)
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0.400n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM50067424
PNG
((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21
Show InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1
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0.450n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA alpha5 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133594
PNG
(US8846719, 299)
Show SMILES C[C@H](NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(F)cn2)nc1)C(F)(F)F
Show InChI InChI=1S/C19H16F4N4O3/c1-10-14(17(27-30-10)15-5-4-13(20)8-24-15)9-29-16-6-3-12(7-25-16)18(28)26-11(2)19(21,22)23/h3-8,11H,9H2,1-2H3,(H,26,28)/t11-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM10667
PNG
(US8846719, 284)
Show SMILES Cc1onc(C2CCCCN2)c1COc1ccc(cn1)C(=O)NCCO
Show InChI InChI=1/C18H24N4O4/c1-12-14(17(22-26-12)15-4-2-3-7-19-15)11-25-16-6-5-13(10-21-16)18(24)20-8-9-23/h5-6,10,15,19,23H,2-4,7-9,11H2,1H3,(H,20,24)
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0.5n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM10483
PNG
(US8846719, 297)
Show SMILES CCNC(=O)c1ccc(OCc2c(C)onc2-c2ccc(F)cn2)nc1
Show InChI InChI=1S/C18H17FN4O3/c1-3-20-18(24)12-4-7-16(22-8-12)25-10-14-11(2)26-23-17(14)15-6-5-13(19)9-21-15/h4-9H,3,10H2,1-2H3,(H,20,24)
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0.5n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133568
PNG
(US8846719, 260)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)N[C@H]1CCC[C@@H]1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClN3O4/c1-13-17(21(26-30-13)14-5-8-16(23)9-6-14)12-29-20-10-7-15(11-24-20)22(28)25-18-3-2-4-19(18)27/h5-11,18-19,27H,2-4,12H2,1H3,(H,25,28)/t18-,19-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133565
PNG
(US8846719, 257)
Show SMILES C[C@@H](CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C20H20ClN3O4/c1-12(10-25)23-20(26)15-5-8-18(22-9-15)27-11-17-13(2)28-24-19(17)14-3-6-16(21)7-4-14/h3-9,12,25H,10-11H2,1-2H3,(H,23,26)/t12-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM11505
PNG
(US8846719, 307)
Show SMILES Cc1onc(C2CNCC(Cl)C2)c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H25ClN4O5S/c1-13-17(19(24-30-13)15-8-16(21)11-22-9-15)12-29-18-3-2-14(10-23-18)20(26)25-4-6-31(27,28)7-5-25/h2-3,10,15-16,22H,4-9,11-12H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133542
PNG
(US8846719, 234)
Show SMILES CC(NC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1)C(F)(F)F
Show InChI InChI=1/C20H18F3N3O3/c1-12-16(18(26-29-12)14-6-4-3-5-7-14)11-28-17-9-8-15(10-24-17)19(27)25-13(2)20(21,22)23/h3-10,13H,11H2,1-2H3,(H,25,27)
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0.600n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133598
PNG
(US8846719, 309)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)N1CCOCC1)-c1ccc(Cl)cn1
Show InChI InChI=1S/C20H19ClN4O4/c1-13-16(19(24-29-13)17-4-3-15(21)11-22-17)12-28-18-5-2-14(10-23-18)20(26)25-6-8-27-9-7-25/h2-5,10-11H,6-9,12H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133581
PNG
(US8846719, 273)
Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccccn2)nc1
Show InChI InChI=1S/C19H20N4O3/c1-12(2)22-19(24)14-7-8-17(21-10-14)25-11-15-13(3)26-23-18(15)16-6-4-5-9-20-16/h4-10,12H,11H2,1-3H3,(H,22,24)
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0.600n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133595
PNG
(US8846719, 298)
Show SMILES Cc1onc(c1COCc1ccc(cn1)C(N)=O)-c1ccc(F)cn1
Show InChI InChI=1S/C17H15FN4O3/c1-10-14(16(22-25-10)15-5-3-12(18)7-21-15)9-24-8-13-4-2-11(6-20-13)17(19)23/h2-7H,8-9H2,1H3,(H2,19,23)
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0.600n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133593
PNG
(US8846719, 305)
Show SMILES Cc1onc(c1COC(O)C(C)(C)c1ccc(cn1)C(N)=O)-c1ccc(Cl)cn1
Show InChI InChI=1/C20H21ClN4O4/c1-11-14(17(25-29-11)15-6-5-13(21)9-23-15)10-28-19(27)20(2,3)16-7-4-12(8-24-16)18(22)26/h4-9,19,27H,10H2,1-3H3,(H2,22,26)
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0.600n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM10677
PNG
(US8846719, 290)
Show SMILES Cc1onc(C2CCC(F)CN2)c1COc1ccc(cn1)C(=O)NC1CC1
Show InChI InChI=1/C19H23FN4O3/c1-11-15(18(24-27-11)16-6-3-13(20)9-21-16)10-26-17-7-2-12(8-22-17)19(25)23-14-4-5-14/h2,7-8,13-14,16,21H,3-6,9-10H2,1H3,(H,23,25)
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0.600n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM50244227
PNG
(CHEMBL458147 | tert-butyl 7-chloro-4-methyl-5-oxo-...)
Show SMILES Cn1c2c(ncn2c2ccc(Cl)cc2c1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C16H16ClN3O3/c1-16(2,3)23-15(22)12-13-19(4)14(21)10-7-9(17)5-6-11(10)20(13)8-18-12/h5-8H,1-4H3
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0.650n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133422
PNG
(US8846719, 107)
Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(F)cc2)nc1
Show InChI InChI=1S/C20H20FN3O3/c1-12(2)23-20(25)15-6-9-18(22-10-15)26-11-17-13(3)27-24-19(17)14-4-7-16(21)8-5-14/h4-10,12H,11H2,1-3H3,(H,23,25)
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0.700n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133518
PNG
(US8846719, 208)
Show SMILES CC[C@@H](CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1
Show InChI InChI=1S/C21H23N3O4/c1-3-17(12-25)23-21(26)16-9-10-19(22-11-16)27-13-18-14(2)28-24-20(18)15-7-5-4-6-8-15/h4-11,17,25H,3,12-13H2,1-2H3,(H,23,26)/t17-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133507
PNG
(US8846719, 196)
Show SMILES C[C@@H](CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1
Show InChI InChI=1S/C20H21N3O4/c1-13(11-24)22-20(25)16-8-9-18(21-10-16)26-12-17-14(2)27-23-19(17)15-6-4-3-5-7-15/h3-10,13,24H,11-12H2,1-2H3,(H,22,25)/t13-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133433
PNG
(US8846719, 119)
Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C20H20ClN3O3/c1-12(2)23-20(25)15-6-9-18(22-10-15)26-11-17-13(3)27-24-19(17)14-4-7-16(21)8-5-14/h4-10,12H,11H2,1-3H3,(H,23,25)
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0.700n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133567
PNG
(US8846719, 259)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)N[C@@H]1CCC[C@H]1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClN3O4/c1-13-17(21(26-30-13)14-5-8-16(23)9-6-14)12-29-20-10-7-15(11-24-20)22(28)25-18-3-2-4-19(18)27/h5-11,18-19,27H,2-4,12H2,1H3,(H,25,28)/t18-,19-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM26267
PNG
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-]
Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133435
PNG
(US8846719, 121)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClN3O4/c1-14-19(21(26-30-14)15-2-5-17(23)6-3-15)13-29-20-7-4-16(12-24-20)22(27)25-18-8-10-28-11-9-18/h2-7,12,18H,8-11,13H2,1H3,(H,25,27)
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US Patent
0.800n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133563
PNG
(US8846719, 255)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)Nc1cnn(C)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClN5O3/c1-13-18(20(26-30-13)14-3-6-16(22)7-4-14)12-29-19-8-5-15(9-23-19)21(28)25-17-10-24-27(2)11-17/h3-11H,12H2,1-2H3,(H,25,28)
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0.800n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133561
PNG
(US8846719, 253)
Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)cc2F)nc1
Show InChI InChI=1S/C21H22FN3O3/c1-12(2)24-21(26)15-6-8-19(23-10-15)27-11-17-14(4)28-25-20(17)16-7-5-13(3)9-18(16)22/h5-10,12H,11H2,1-4H3,(H,24,26)
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0.800n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133424
PNG
(US8846719, 109)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H22FN3O4/c1-14-19(21(26-30-14)15-2-5-17(23)6-3-15)13-29-20-7-4-16(12-24-20)22(27)25-18-8-10-28-11-9-18/h2-7,12,18H,8-11,13H2,1H3,(H,25,27)
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0.800n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133564
PNG
(US8846719, 256)
Show SMILES C[C@H](CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C20H20ClN3O4/c1-12(10-25)23-20(26)15-5-8-18(22-9-15)27-11-17-13(2)28-24-19(17)14-3-6-16(21)7-4-14/h3-9,12,25H,10-11H2,1-2H3,(H,23,26)/t12-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM50244195
PNG
(CHEMBL453251 | ethyl 7-chloro-4-methyl-5-oxo-4,5-d...)
Show SMILES CCOC(=O)c1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
Show InChI InChI=1S/C14H12ClN3O3/c1-3-21-14(20)11-12-17(2)13(19)9-6-8(15)4-5-10(9)18(12)7-16-11/h4-7H,3H2,1-2H3
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0.850n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133559
PNG
(US8846719, 251)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(C)cc1
Show InChI InChI=1S/C23H25N3O4/c1-15-3-5-17(6-4-15)22-20(16(2)30-26-22)14-29-21-8-7-18(13-24-21)23(27)25-19-9-11-28-12-10-19/h3-8,13,19H,9-12,14H2,1-2H3,(H,25,27)
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0.900n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133560
PNG
(US8846719, 252)
Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)cc2)nc1
Show InChI InChI=1S/C21H23N3O3/c1-13(2)23-21(25)17-9-10-19(22-11-17)26-12-18-15(4)27-24-20(18)16-7-5-14(3)6-8-16/h5-11,13H,12H2,1-4H3,(H,23,25)
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1n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133501
PNG
(US8846719, 190)
Show SMILES CC(CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1
Show InChI InChI=1/C20H21N3O4/c1-13(11-24)22-20(25)16-8-9-18(21-10-16)26-12-17-14(2)27-23-19(17)15-6-4-3-5-7-15/h3-10,13,24H,11-12H2,1-2H3,(H,22,25)
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1n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM10668
PNG
(US8846719, 285)
Show SMILES COCCNC(=O)c1ccc(OCc2c(C)onc2C2CCCCN2)nc1
Show InChI InChI=1/C19H26N4O4/c1-13-15(18(23-27-13)16-5-3-4-8-20-16)12-26-17-7-6-14(11-22-17)19(24)21-9-10-25-2/h6-7,11,16,20H,3-5,8-10,12H2,1-2H3,(H,21,24)
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1.10n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133423
PNG
(US8846719, 108)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN3O3/c1-12-17(19(24-27-12)13-2-5-15(21)6-3-13)11-26-18-9-4-14(10-22-18)20(25)23-16-7-8-16/h2-6,9-10,16H,7-8,11H2,1H3,(H,23,25)
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1.10n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133434
PNG
(US8846719, 120)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClN3O3/c1-12-17(19(24-27-12)13-2-5-15(21)6-3-13)11-26-18-9-4-14(10-22-18)20(25)23-16-7-8-16/h2-6,9-10,16H,7-8,11H2,1H3,(H,23,25)
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1.10n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133580
PNG
(US8846719, 272)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C21H22N4O4/c1-14-17(20(25-29-14)18-4-2-3-9-22-18)13-28-19-6-5-15(12-23-19)21(26)24-16-7-10-27-11-8-16/h2-6,9,12,16H,7-8,10-11,13H2,1H3,(H,24,26)
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1.10n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133554
PNG
(US8846719, 246)
Show SMILES Cc1nnc([nH]1)-c1ccc(OCc2c(C)onc2-c2ccccc2)nc1
Show InChI InChI=1S/C19H17N5O2/c1-12-16(18(24-26-12)14-6-4-3-5-7-14)11-25-17-9-8-15(10-20-17)19-21-13(2)22-23-19/h3-10H,11H2,1-2H3,(H,21,22,23)
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1.10n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133545
PNG
(US8846719, 237)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)Nc1cnn(C)c1)-c1ccccc1
Show InChI InChI=1S/C21H19N5O3/c1-14-18(20(25-29-14)15-6-4-3-5-7-15)13-28-19-9-8-16(10-22-19)21(27)24-17-11-23-26(2)12-17/h3-12H,13H2,1-2H3,(H,24,27)
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1.10n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM133583
PNG
(US8846719, 275)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NCC(F)(F)F)-c1ccccn1
Show InChI InChI=1S/C18H15F3N4O3/c1-11-13(16(25-28-11)14-4-2-3-7-22-14)9-27-15-6-5-12(8-23-15)17(26)24-10-18(19,20)21/h2-8H,9-10H2,1H3,(H,24,26)
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1.10n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...


US Patent US8846719 (2014)

More data for this
Ligand-Target Pair
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