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Compile Data Set for Download or QSAR

Found 946 hits with Last Name = 'fischer' and Initial = 'h'   
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
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378517
PNG
(CHEMBL567243)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21
Show InChI InChI=1S/C15H12ClN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3
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0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378486
PNG
(CHEMBL566181)
Show SMILES CCOc1ncn-2c1Cn1nccc1-c1ccccc-21
Show InChI InChI=1S/C15H14N4O/c1-2-20-15-14-9-19-13(7-8-17-19)11-5-3-4-6-12(11)18(14)10-16-15/h3-8,10H,2,9H2,1H3
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0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50311052
PNG
(CHEMBL1079870 | ethyl 3-fluoro-9H-benzo[f]imidazo[...)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(F)ccc-21
Show InChI InChI=1S/C15H12FN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3
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0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from human GABAalpha5beta3gamma2 receptor expressed in insect SF9 cells


Bioorg Med Chem Lett 19: 5940-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50311061
PNG
(3-(3-fluoro-9H-benzo[f]imidazo[1,5-a][1,2,4]triazo...)
Show SMILES Cc1nc(no1)-c1ncn-2c1Cn1ncnc1-c1cc(F)ccc-21
Show InChI InChI=1S/C15H10FN7O/c1-8-20-14(21-24-8)13-12-5-23-15(17-6-19-23)10-4-9(16)2-3-11(10)22(12)7-18-13/h2-4,6-7H,5H2,1H3
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0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5940-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378529
PNG
(CHEMBL566189)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1ccccc-21
Show InChI InChI=1S/C15H13N5O2/c1-2-22-15(21)13-12-7-20-14(16-8-18-20)10-5-3-4-6-11(10)19(12)9-17-13/h3-6,8-9H,2,7H2,1H3
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0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378525
PNG
(CHEMBL571466)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(OC)ccc-21
Show InChI InChI=1S/C16H15N5O3/c1-3-24-16(22)14-13-7-21-15(17-8-19-21)11-6-10(23-2)4-5-12(11)20(13)9-18-14/h4-6,8-9H,3,7H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50311048
PNG
(10-chloro-3-fluoro-9H-benzo[f]imidazo[1,5-a][1,2,4...)
Show SMILES Fc1ccc-2c(c1)-c1ncnn1Cc1c(Cl)ncn-21
Show InChI InChI=1S/C12H7ClFN5/c13-11-10-4-19-12(15-5-17-19)8-3-7(14)1-2-9(8)18(10)6-16-11/h1-3,5-6H,4H2
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0.300n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from human GABAalpha5beta3gamma2 receptor expressed in insect SF9 cells


Bioorg Med Chem Lett 19: 5940-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378518
PNG
(CHEMBL565560)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(Br)ccc-21
Show InChI InChI=1S/C15H12BrN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3
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0.300n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50311049
PNG
(10-chloro-9H-benzo[f]imidazo[1,5-a][1,2,4]triazolo...)
Show SMILES Clc1ncn-2c1Cn1ncnc1-c1ccccc-21
Show InChI InChI=1S/C12H8ClN5/c13-11-10-5-18-12(14-6-16-18)8-3-1-2-4-9(8)17(10)7-15-11/h1-4,6-7H,5H2
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0.300n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5940-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077223
PNG
(CHEMBL3416881)
Show SMILES CN(C)C(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12
Show InChI InChI=1S/C25H26ClN3O3/c1-27(2)23(30)15-29-14-20(19-8-7-18(26)13-22(19)29)24(31)28-11-9-25(10-12-28)21-6-4-3-5-17(21)16-32-25/h3-8,13-14H,9-12,15-16H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378469
PNG
(CHEMBL576426)
Show SMILES CCc1ncn-2c1Cn1ncnc1-c1ccccc-21
Show InChI InChI=1S/C14H13N5/c1-2-11-13-7-19-14(15-8-17-19)10-5-3-4-6-12(10)18(13)9-16-11/h3-6,8-9H,2,7H2,1H3
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0.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378519
PNG
(CHEMBL566188)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(C)ccc-21
Show InChI InChI=1S/C16H15N5O2/c1-3-23-16(22)14-13-7-21-15(17-8-19-21)11-6-10(2)4-5-12(11)20(13)9-18-14/h4-6,8-9H,3,7H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378501
PNG
(CHEMBL567019)
Show SMILES CCOC(=O)c1ncn-2c1Cn1cnnc1-c1cc(Br)ccc-21
Show InChI InChI=1S/C15H12BrN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3
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0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378504
PNG
(CHEMBL565345)
Show SMILES CCOC(=O)c1ncn-2c1Cn1cnnc1-c1cc(O)ccc-21
Show InChI InChI=1S/C15H13N5O3/c1-2-23-15(22)13-12-6-19-8-17-18-14(19)10-5-9(21)3-4-11(10)20(12)7-16-13/h3-5,7-8,21H,2,6H2,1H3
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0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50310948
PNG
(5-((3-chloro-10-methyl-9H-benzo[f]imidazo[1,5-a][1...)
Show SMILES Cc1cc(Cc2nc3-c4cc(Cl)ccc4-n4cnc(C)c4Cn3n2)on1
Show InChI InChI=1S/C18H15ClN6O/c1-10-5-13(26-23-10)7-17-21-18-14-6-12(19)3-4-15(14)24-9-20-11(2)16(24)8-25(18)22-17/h3-6,9H,7-8H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAAalpha5beta3gamma2 receptor


Bioorg Med Chem Lett 19: 5958-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.027
BindingDB Entry DOI: 10.7270/Q2R78FBR
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378527
PNG
(CHEMBL569010)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(ccc-21)C#C
Show InChI InChI=1S/C17H13N5O2/c1-3-11-5-6-13-12(7-11)16-18-9-20-22(16)8-14-15(17(23)24-4-2)19-10-21(13)14/h1,5-7,9-10H,4,8H2,2H3
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0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378520
PNG
(CHEMBL571465)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(ccc-21)C1CC1
Show InChI InChI=1S/C18H17N5O2/c1-2-25-18(24)16-15-8-23-17(19-9-21-23)13-7-12(11-3-4-11)5-6-14(13)22(15)10-20-16/h5-7,9-11H,2-4,8H2,1H3
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0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50310938
PNG
(5-((3-bromo-10-methyl-9H-benzo[f]imidazo[1,5-a][1,...)
Show SMILES Cc1cc(Cc2nc3-c4cc(Br)ccc4-n4cnc(C)c4Cn3n2)on1
Show InChI InChI=1S/C18H15BrN6O/c1-10-5-13(26-23-10)7-17-21-18-14-6-12(19)3-4-15(14)24-9-20-11(2)16(24)8-25(18)22-17/h3-6,9H,7-8H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAAalpha5beta3gamma2 receptor


Bioorg Med Chem Lett 19: 5958-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.027
BindingDB Entry DOI: 10.7270/Q2R78FBR
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378526
PNG
(CHEMBL569273)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(OC(F)(F)F)ccc-21
Show InChI InChI=1S/C16H12F3N5O3/c1-2-26-15(25)13-12-6-24-14(20-7-22-24)10-5-9(27-16(17,18)19)3-4-11(10)23(12)8-21-13/h3-5,7-8H,2,6H2,1H3
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0.800n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378498
PNG
(CHEMBL577290)
Show SMILES CCOC(=O)c1ncn-2c1Cn1cnnc1-c1ccccc-21
Show InChI InChI=1S/C15H13N5O2/c1-2-22-15(21)13-12-7-19-9-17-18-14(19)10-5-3-4-6-11(10)20(12)8-16-13/h3-6,8-9H,2,7H2,1H3
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0.800n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50310947
PNG
(5-((3,10-dimethyl-9H-benzo[f]imidazo[1,5-a][1,2,4]...)
Show SMILES Cc1cc(Cc2nc3-c4cc(C)ccc4-n4cnc(C)c4Cn3n2)on1
Show InChI InChI=1S/C19H18N6O/c1-11-4-5-16-15(6-11)19-21-18(8-14-7-12(2)23-26-14)22-25(19)9-17-13(3)20-10-24(16)17/h4-7,10H,8-9H2,1-3H3
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0.800n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAAalpha5beta3gamma2 receptor


Bioorg Med Chem Lett 19: 5958-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.027
BindingDB Entry DOI: 10.7270/Q2R78FBR
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50310937
PNG
(5-((3-bromo-10-methyl-9H-benzo[f]imidazo[1,5-a][1,...)
Show SMILES Cc1noc(Cc2nc3-c4cc(Br)ccc4-n4cnc(C)c4Cn3n2)n1
Show InChI InChI=1S/C17H14BrN7O/c1-9-14-7-25-17(21-15(22-25)6-16-20-10(2)23-26-16)12-5-11(18)3-4-13(12)24(14)8-19-9/h3-5,8H,6-7H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAAalpha5beta3gamma2 receptor


Bioorg Med Chem Lett 19: 5958-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.027
BindingDB Entry DOI: 10.7270/Q2R78FBR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077217
PNG
(CHEMBL3416885)
Show SMILES CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12
Show InChI InChI=1S/C25H28ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15-16H,9-14,17H2,1-2H3
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50311074
PNG
(4-fluoro-10-methyl-9H-benzo[f]imidazo[1,5-a][1,2,4...)
Show SMILES Cc1ncn-2c1Cn1ncnc1-c1c(F)cccc-21
Show InChI InChI=1S/C13H10FN5/c1-8-11-5-19-13(15-6-17-19)12-9(14)3-2-4-10(12)18(11)7-16-8/h2-4,6-7H,5H2,1H3
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5940-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077452
PNG
(CHEMBL3416868)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12
Show InChI InChI=1S/C28H31ClN4O3/c1-30-12-14-31(15-13-30)26(34)18-33-17-23(22-7-6-21(29)16-25(22)33)27(35)32-10-8-28(9-11-32)24-5-3-2-4-20(24)19-36-28/h2-7,16-17H,8-15,18-19H2,1H3
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077221
PNG
(CHEMBL3416883)
Show SMILES CN1CCC[C@H]1Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12 |r|
Show InChI InChI=1/C27H30ClN3O2/c1-29-12-4-6-21(29)16-31-17-23(22-9-8-20(28)15-25(22)31)26(32)30-13-10-27(11-14-30)24-7-3-2-5-19(24)18-33-27/h2-3,5,7-9,15,17,21H,4,6,10-14,16,18H2,1H3/t21-/s2
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378490
PNG
(CHEMBL565510)
Show SMILES O=C(C1CC1)c1ncn-2c1Cn1nccc1-c1ccccc-21
Show InChI InChI=1S/C17H14N4O/c22-17(11-5-6-11)16-15-9-21-14(7-8-19-21)12-3-1-2-4-13(12)20(15)10-18-16/h1-4,7-8,10-11H,5-6,9H2
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50311036
PNG
(10-chloro-3-(difluoromethyl)-9H-benzo[f]imidazo[1,...)
Show SMILES FC(F)c1ccc-2c(c1)-c1ncnn1Cc1c(Cl)ncn-21
Show InChI InChI=1S/C13H8ClF2N5/c14-11-10-4-21-13(17-5-19-21)8-3-7(12(15)16)1-2-9(8)20(10)6-18-11/h1-3,5-6,12H,4H2
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1.10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5940-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50311075
PNG
(4-chloro-10-methyl-9H-benzo[f]imidazo[1,5-a][1,2,4...)
Show SMILES Cc1ncn-2c1Cn1ncnc1-c1c(Cl)cccc-21
Show InChI InChI=1S/C13H10ClN5/c1-8-11-5-19-13(15-6-17-19)12-9(14)3-2-4-10(12)18(11)7-16-8/h2-4,6-7H,5H2,1H3
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1.20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5940-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50311037
PNG
(10-chloro-3-cyclopropyl-9H-benzo[f]imidazo[1,5-a][...)
Show SMILES Clc1ncn-2c1Cn1ncnc1-c1cc(ccc-21)C1CC1
Show InChI InChI=1S/C15H12ClN5/c16-14-13-6-21-15(17-7-19-21)11-5-10(9-1-2-9)3-4-12(11)20(13)8-18-14/h3-5,7-9H,1-2,6H2
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1.20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5940-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50310946
PNG
(10-methyl-6-((3-methylisoxazol-5-yl)methyl)-9H-ben...)
Show SMILES Cc1cc(Cc2nc3-c4cc(O)ccc4-n4cnc(C)c4Cn3n2)on1
Show InChI InChI=1S/C18H16N6O2/c1-10-5-13(26-22-10)7-17-20-18-14-6-12(25)3-4-15(14)23-9-19-11(2)16(23)8-24(18)21-17/h3-6,9,25H,7-8H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAAalpha5beta3gamma2 receptor


Bioorg Med Chem Lett 19: 5958-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.027
BindingDB Entry DOI: 10.7270/Q2R78FBR
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378500
PNG
(CHEMBL577411)
Show SMILES CCOC(=O)c1ncn-2c1Cn1cnnc1-c1cc(Cl)ccc-21
Show InChI InChI=1S/C15H12ClN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3
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1.20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378487
PNG
(CHEMBL578395)
Show SMILES CCOc1ncn-2c1Cn1nccc1-c1cc(Cl)ccc-21
Show InChI InChI=1S/C15H13ClN4O/c1-2-21-15-14-8-20-13(5-6-18-20)11-7-10(16)3-4-12(11)19(14)9-17-15/h3-7,9H,2,8H2,1H3
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1.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378503
PNG
(CHEMBL565344)
Show SMILES CCOC(=O)c1ncn-2c1Cn1cnnc1-c1cc(OC)ccc-21
Show InChI InChI=1S/C16H15N5O3/c1-3-24-16(22)14-13-7-20-9-18-19-15(20)11-6-10(23-2)4-5-12(11)21(13)8-17-14/h4-6,8-9H,3,7H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50311033
PNG
(3-bromo-10-chloro-9H-benzo[f]imidazo[1,5-a][1,2,4]...)
Show SMILES Clc1ncn-2c1Cn1ncnc1-c1cc(Br)ccc-21
Show InChI InChI=1S/C12H7BrClN5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2
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1.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5940-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077222
PNG
(CHEMBL3416882)
Show SMILES Clc1ccc2c(cn(C[C@@H]3CCCN3)c2c1)C(=O)N1CCC2(CC1)OCc1ccccc21 |r|
Show InChI InChI=1/C26H28ClN3O2/c27-19-7-8-21-22(16-30(24(21)14-19)15-20-5-3-11-28-20)25(31)29-12-9-26(10-13-29)23-6-2-1-4-18(23)17-32-26/h1-2,4,6-8,14,16,20,28H,3,5,9-13,15,17H2/t20-/s2
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1.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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1.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAAalpha2beta3gamma2 receptor


Bioorg Med Chem Lett 19: 5958-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.027
BindingDB Entry DOI: 10.7270/Q2R78FBR
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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1.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAAalpha1beta3gamma2 receptor


Bioorg Med Chem Lett 19: 5958-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.027
BindingDB Entry DOI: 10.7270/Q2R78FBR
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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1.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAAalpha5beta3gamma2 receptor


Bioorg Med Chem Lett 19: 5958-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.027
BindingDB Entry DOI: 10.7270/Q2R78FBR
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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1.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAAalpha3beta3gamma2 receptor


Bioorg Med Chem Lett 19: 5958-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.027
BindingDB Entry DOI: 10.7270/Q2R78FBR
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50311057
PNG
(3-chloro-10-propyl-9H-benzo[f]imidazo[1,5-a][1,2,4...)
Show SMILES CCCc1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21
Show InChI InChI=1S/C15H14ClN5/c1-2-3-12-14-7-21-15(17-8-19-21)11-6-10(16)4-5-13(11)20(14)9-18-12/h4-6,8-9H,2-3,7H2,1H3
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1.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5940-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50310945
PNG
(3-methyl-5-((10-methyl-9H-benzo[f]imidazo[1,5-a][1...)
Show SMILES Cc1cc(Cc2nc3-c4ccccc4-n4cnc(C)c4Cn3n2)on1
Show InChI InChI=1S/C18H16N6O/c1-11-7-13(25-22-11)8-17-20-18-14-5-3-4-6-15(14)23-10-19-12(2)16(23)9-24(18)21-17/h3-7,10H,8-9H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAAalpha5beta3gamma2 receptor


Bioorg Med Chem Lett 19: 5958-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.027
BindingDB Entry DOI: 10.7270/Q2R78FBR
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378497
PNG
(CHEMBL568539)
Show SMILES Cc1ncn-2c1Cn1cc(CN3CCCC3=O)nc1-c1cc(Br)ccc-21
Show InChI InChI=1S/C19H18BrN5O/c1-12-17-10-24-9-14(8-23-6-2-3-18(23)26)22-19(24)15-7-13(20)4-5-16(15)25(17)11-21-12/h4-5,7,9,11H,2-3,6,8,10H2,1H3
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1.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378499
PNG
(CHEMBL565293)
Show SMILES CCOC(=O)c1ncn-2c1Cn1cnnc1-c1cc(F)ccc-21
Show InChI InChI=1S/C15H12FN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3
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1.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50311035
PNG
(10-chloro-3-methyl-9H-benzo[f]imidazo[1,5-a][1,2,4...)
Show SMILES Cc1ccc-2c(c1)-c1ncnn1Cc1c(Cl)ncn-21
Show InChI InChI=1S/C13H10ClN5/c1-8-2-3-10-9(4-8)13-15-6-17-19(13)5-11-12(14)16-7-18(10)11/h2-4,6-7H,5H2,1H3
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1.80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5940-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50311071
PNG
(3-(difluoromethoxy)-10-methyl-9H-benzo[f]imidazo[1...)
Show SMILES Cc1ncn-2c1Cn1ncnc1-c1cc(OC(F)F)ccc-21
Show InChI InChI=1S/C14H11F2N5O/c1-8-12-5-21-13(17-6-19-21)10-4-9(22-14(15)16)2-3-11(10)20(12)7-18-8/h2-4,6-7,14H,5H2,1H3
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1.80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5940-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50311047
PNG
(3,10-dichloro-9H-benzo[f]imidazo[1,5-a][1,2,4]tria...)
Show SMILES Clc1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21
Show InChI InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2
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2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5940-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.053
BindingDB Entry DOI: 10.7270/Q27944TT
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378489
PNG
(CHEMBL584095)
Show SMILES Clc1ncn-2c1Cn1nccc1-c1ccccc-21
Show InChI InChI=1S/C13H9ClN4/c14-13-12-7-18-11(5-6-16-18)9-3-1-2-4-10(9)17(12)8-15-13/h1-6,8H,7H2
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2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077213
PNG
(CHEMBL3416860)
Show SMILES Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C29H28N2O2/c1-21-27(24-12-6-8-14-26(24)31(21)19-22-9-3-2-4-10-22)28(32)30-17-15-29(16-18-30)25-13-7-5-11-23(25)20-33-29/h2-14H,15-20H2,1H3
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2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50077310
PNG
(CHEMBL3416869)
Show SMILES CN(C)CCNC(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12
Show InChI InChI=1S/C27H31ClN4O3/c1-30(2)14-11-29-25(33)17-32-16-22(21-8-7-20(28)15-24(21)32)26(34)31-12-9-27(10-13-31)23-6-4-3-5-19(23)18-35-27/h3-8,15-16H,9-14,17-18H2,1-2H3,(H,29,33)
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2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay


J Med Chem 58: 2275-89 (2015)


Article DOI: 10.1021/jm501745f
BindingDB Entry DOI: 10.7270/Q2JW8GK0
More data for this
Ligand-Target Pair
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