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SMILES: Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1

InChI Key: InChIKey=MEWSBNIVOLYKGU-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50457439   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/delta


(Rattus norvegicus (Rat)-RAT)
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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n/an/a 310n/an/an/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta3delta expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting ...


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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n/an/an/an/a 870n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha6beta3gamma2 expressed in HEK293 cells in presence of GABA by patch-clamp assay


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/gamma-2


(Rattus norvegicus (Rat))
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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n/an/a 3.29E+3n/an/an/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from rat GABA-A receptor alpha4beta3gamma2 expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting...


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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n/an/a 930n/an/an/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta3gamma2 expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting...


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta2gamma2 expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting...


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/delta


(Rattus norvegicus (Rat)-RAT)
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta2delta expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting ...


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Rattus norvegicus (Rat))
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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n/an/an/an/a 2.01E+3n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha1beta3gamma2 expressed in HEK293 cells in presence of GABA by patch-clamp assay


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3


(Rattus norvegicus (Rat))
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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n/an/an/an/a 60n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha4beta3 expressed in HEK293 cells in presence of GABA by patch-clamp assay


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/delta


(Rattus norvegicus (Rat)-RAT)
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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n/an/an/an/a 130n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha6beta3delta expressed in HEK293 cells in presence of GABA by patch-clamp assay


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3


(RAT-Rattus norvegicus)
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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n/an/a 960n/an/an/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta3 expressed in HEK293 cell membranes after 90 mins in presence of GABA by liquid scintill...


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/delta


(Rattus norvegicus (Rat)-RAT)
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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n/an/a 370n/an/an/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta3delta expressed in HEK293 cell membranes after 90 mins in presence of GABA by liquid sci...


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3


(RAT-Rattus norvegicus)
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta3 expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analy...


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3


(RAT-Rattus norvegicus)
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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n/an/an/an/a 170n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha6beta3 expressed in HEK293 cells in presence of GABA by patch-clamp assay


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3


(Rattus norvegicus (Rat))
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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n/an/a 1.86E+3n/an/an/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from rat GABA-A receptor alpha4beta3 expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analy...


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta


(Rattus norvegicus (Rat))
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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n/an/a 510n/an/an/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from rat GABA-A receptor alpha4beta3delta expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting ...


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2


(RAT-Rattus norvegicus (Rat))
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta2 expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analy...


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3


(Rattus norvegicus (Rat))
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha1beta3 expressed in HEK293 cells in presence of GABA by patch-clamp assay


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/delta


(Rattus norvegicus (Rat))
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha1beta3delta expressed in HEK293 cells in presence of GABA by patch-clamp assay


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta


(Rattus norvegicus (Rat))
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha4beta3delta expressed in HEK293 cells in presence of GABA by patch-clamp assay


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50457439
PNG
(CHEMBL4213357)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1
Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)
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n/an/a 1.09E+3n/an/an/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta3gamma2 expressed in HEK293 cell membranes after 90 mins in presence of GABA by liquid sc...


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair