BindingDB logo
myBDB logout

PubMed code 15006383

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM25877
PNG
(CHEMBL286594 | RY-80, 1 | ethyl 12-ethynyl-8-methy...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.490n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha3-beta3-gamma2 subunits expressed in L(tk-)cells


Bioorg Med Chem Lett 14: 1465-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.018
BindingDB Entry DOI: 10.7270/Q2W958M2
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM25879
PNG
(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C33H26N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h1-2,8-11,14-15,18-19H,7,12-13,16-17H2,3-4H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha1-beta3-gamma2 subunits expressed in L(tk-)cells


Bioorg Med Chem Lett 14: 1465-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.018
BindingDB Entry DOI: 10.7270/Q2W958M2
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM25877
PNG
(CHEMBL286594 | RY-80, 1 | ethyl 12-ethynyl-8-methy...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha4-beta3-gamma2 subunits expressed in L(tk-)cells


Bioorg Med Chem Lett 14: 1465-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.018
BindingDB Entry DOI: 10.7270/Q2W958M2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM25877
PNG
(CHEMBL286594 | RY-80, 1 | ethyl 12-ethynyl-8-methy...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha6-beta3-gamma2 subunits expressed in L(tk-)cells


Bioorg Med Chem Lett 14: 1465-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.018
BindingDB Entry DOI: 10.7270/Q2W958M2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM25877
PNG
(CHEMBL286594 | RY-80, 1 | ethyl 12-ethynyl-8-methy...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3
UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
28n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha1-beta3-gamma2 subunits expressed in L(tk-)cells


Bioorg Med Chem Lett 14: 1465-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.018
BindingDB Entry DOI: 10.7270/Q2W958M2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2


(Homo sapiens (Human))
BDBM25877
PNG
(CHEMBL286594 | RY-80, 1 | ethyl 12-ethynyl-8-methy...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
29n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha2-beta3-gamma2 subunits expressed in L(tk-)cells


Bioorg Med Chem Lett 14: 1465-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.018
BindingDB Entry DOI: 10.7270/Q2W958M2
More data for this
Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2


(Homo sapiens (Human))
BDBM25877
PNG
(CHEMBL286594 | RY-80, 1 | ethyl 12-ethynyl-8-methy...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
53n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha3-beta3-gamma2 subunits expressed in L(tk-)cells


Bioorg Med Chem Lett 14: 1465-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.018
BindingDB Entry DOI: 10.7270/Q2W958M2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM25879
PNG
(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C33H26N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h1-2,8-11,14-15,18-19H,7,12-13,16-17H2,3-4H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
858n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha2-beta3-gamma2 subunits expressed in L(tk-)cells


Bioorg Med Chem Lett 14: 1465-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.018
BindingDB Entry DOI: 10.7270/Q2W958M2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM25879
PNG
(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C33H26N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h1-2,8-11,14-15,18-19H,7,12-13,16-17H2,3-4H3
UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha6-beta3-gamma2 subunits expressed in L(tk-)cells


Bioorg Med Chem Lett 14: 1465-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.018
BindingDB Entry DOI: 10.7270/Q2W958M2
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM25879
PNG
(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C33H26N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h1-2,8-11,14-15,18-19H,7,12-13,16-17H2,3-4H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha5-beta3-gamma2 subunits expressed in L(tk-)cells


Bioorg Med Chem Lett 14: 1465-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.018
BindingDB Entry DOI: 10.7270/Q2W958M2
More data for this
Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2


(Homo sapiens (Human))
BDBM25879
PNG
(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C33H26N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h1-2,8-11,14-15,18-19H,7,12-13,16-17H2,3-4H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.55E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha5-beta3-gamma2 subunits expressed in L(tk-)cells


Bioorg Med Chem Lett 14: 1465-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.018
BindingDB Entry DOI: 10.7270/Q2W958M2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2


(Homo sapiens (Human))
BDBM25879
PNG
(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C33H26N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h1-2,8-11,14-15,18-19H,7,12-13,16-17H2,3-4H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha4-beta3-gamma2 subunits expressed in L(tk-)cells


Bioorg Med Chem Lett 14: 1465-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.018
BindingDB Entry DOI: 10.7270/Q2W958M2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%