new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50017042   
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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176773
PNG
(7-tert-butyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1
Show InChI InChI=1S/C19H21N7O/c1-19(2,3)14-10-15-22-23-17(13-8-6-5-7-9-13)26(15)24-18(14)27-11-16-20-12-21-25(16)4/h5-10,12H,11H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176776
PNG
(7-cyclobutyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1ccccc1
Show InChI InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.170n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176776
PNG
(7-cyclobutyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1ccccc1
Show InChI InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.230n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176776
PNG
(7-cyclobutyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1ccccc1
Show InChI InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.25n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.270n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.310n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176772
PNG
(7-cyclopentyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmeth...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCCC1)-c1ccccc1
Show InChI InChI=1S/C20H21N7O/c1-26-18(21-13-22-26)12-28-20-16(14-7-5-6-8-14)11-17-23-24-19(27(17)25-20)15-9-3-2-4-10-15/h2-4,9-11,13-14H,5-8,12H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176773
PNG
(7-tert-butyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1
Show InChI InChI=1S/C19H21N7O/c1-19(2,3)14-10-15-22-23-17(13-8-6-5-7-9-13)26(15)24-18(14)27-11-16-20-12-21-25(16)4/h5-10,12H,11H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.360n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176772
PNG
(7-cyclopentyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmeth...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCCC1)-c1ccccc1
Show InChI InChI=1S/C20H21N7O/c1-26-18(21-13-22-26)12-28-20-16(14-7-5-6-8-14)11-17-23-24-19(27(17)25-20)15-9-3-2-4-10-15/h2-4,9-11,13-14H,5-8,12H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.380n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176772
PNG
(7-cyclopentyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmeth...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCCC1)-c1ccccc1
Show InChI InChI=1S/C20H21N7O/c1-26-18(21-13-22-26)12-28-20-16(14-7-5-6-8-14)11-17-23-24-19(27(17)25-20)15-9-3-2-4-10-15/h2-4,9-11,13-14H,5-8,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.730n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176774
PNG
(3,7-diphenyl-6-(2-methyl-2H-1,2,4-triazol-3-yl-met...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H17N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.780n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176770
PNG
(3,7-diphenyl-6-(2-pyridyl)methyloxy-1,2,4-triazolo...)
Show SMILES C(Oc1nn2c(nnc2cc1-c1ccccc1)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C23H17N5O/c1-3-9-17(10-4-1)20-15-21-25-26-22(18-11-5-2-6-12-18)28(21)27-23(20)29-16-19-13-7-8-14-24-19/h1-15H,16H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176774
PNG
(3,7-diphenyl-6-(2-methyl-2H-1,2,4-triazol-3-yl-met...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H17N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176770
PNG
(3,7-diphenyl-6-(2-pyridyl)methyloxy-1,2,4-triazolo...)
Show SMILES C(Oc1nn2c(nnc2cc1-c1ccccc1)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C23H17N5O/c1-3-9-17(10-4-1)20-15-21-25-26-22(18-11-5-2-6-12-18)28(21)27-23(20)29-16-19-13-7-8-14-24-19/h1-15H,16H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176774
PNG
(3,7-diphenyl-6-(2-methyl-2H-1,2,4-triazol-3-yl-met...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H17N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176770
PNG
(3,7-diphenyl-6-(2-pyridyl)methyloxy-1,2,4-triazolo...)
Show SMILES C(Oc1nn2c(nnc2cc1-c1ccccc1)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C23H17N5O/c1-3-9-17(10-4-1)20-15-21-25-26-22(18-11-5-2-6-12-18)28(21)27-23(20)29-16-19-13-7-8-14-24-19/h1-15H,16H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176775
PNG
(7-cyclohexyl-6-(2-methyl-2H-1,2,4-triazol-3-yl-met...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C21H23N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h3,6-7,10-12,14-15H,2,4-5,8-9,13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176775
PNG
(7-cyclohexyl-6-(2-methyl-2H-1,2,4-triazol-3-yl-met...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C21H23N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h3,6-7,10-12,14-15H,2,4-5,8-9,13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
6.20n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162235
PNG
(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccccn1 |(.38,-2.64,;-.97,-1.89,;-.97,-.33,;.37,.41,;.37,1.98,;1.5,2.99,;.89,4.4,;-.62,4.25,;-.97,2.73,;-2.28,1.95,;-3.63,2.65,;-2.98,1.21,;-4.57,1.21,;-3.61,-.36,;-4.96,.41,;-4.96,1.95,;-2.28,.41,;2.99,2.58,;3.39,1.12,;4.86,.72,;5.96,1.8,;5.54,3.29,;4.07,3.69,;.38,-4.18,;-.97,-4.95,;-.97,-6.49,;.37,-7.26,;1.71,-6.49,;1.69,-4.95,)|
Show InChI InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)21-25-26-22-19-15-9-11-16(12-10-15)20(19)23(27-28(21)22)29-14-18-8-4-5-13-24-18/h1-8,13,15-16H,9-12,14H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
12n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176775
PNG
(7-cyclohexyl-6-(2-methyl-2H-1,2,4-triazol-3-yl-met...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C21H23N7O/c1-27-19(22-14-23-27)13-29-21-17(15-8-4-2-5-9-15)12-18-24-25-20(28(18)26-21)16-10-6-3-7-11-16/h3,6-7,10-12,14-15H,2,4-5,8-9,13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
14n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
14n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
15n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
20n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162235
PNG
(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccccn1 |(.38,-2.64,;-.97,-1.89,;-.97,-.33,;.37,.41,;.37,1.98,;1.5,2.99,;.89,4.4,;-.62,4.25,;-.97,2.73,;-2.28,1.95,;-3.63,2.65,;-2.98,1.21,;-4.57,1.21,;-3.61,-.36,;-4.96,.41,;-4.96,1.95,;-2.28,.41,;2.99,2.58,;3.39,1.12,;4.86,.72,;5.96,1.8,;5.54,3.29,;4.07,3.69,;.38,-4.18,;-.97,-4.95,;-.97,-6.49,;.37,-7.26,;1.71,-6.49,;1.69,-4.95,)|
Show InChI InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)21-25-26-22-19-15-9-11-16(12-10-15)20(19)23(27-28(21)22)29-14-18-8-4-5-13-24-18/h1-8,13,15-16H,9-12,14H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
26n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
27n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162235
PNG
(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccccn1 |(.38,-2.64,;-.97,-1.89,;-.97,-.33,;.37,.41,;.37,1.98,;1.5,2.99,;.89,4.4,;-.62,4.25,;-.97,2.73,;-2.28,1.95,;-3.63,2.65,;-2.98,1.21,;-4.57,1.21,;-3.61,-.36,;-4.96,.41,;-4.96,1.95,;-2.28,.41,;2.99,2.58,;3.39,1.12,;4.86,.72,;5.96,1.8,;5.54,3.29,;4.07,3.69,;.38,-4.18,;-.97,-4.95,;-.97,-6.49,;.37,-7.26,;1.71,-6.49,;1.69,-4.95,)|
Show InChI InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)21-25-26-22-19-15-9-11-16(12-10-15)20(19)23(27-28(21)22)29-14-18-8-4-5-13-24-18/h1-8,13,15-16H,9-12,14H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
71n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
160n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
380n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair