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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'GABA receptor alpha-5/beta-3/gamma-2 subunit' and Ligand = 'BDBM50065229'   
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))
BDBM50065229
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3
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1n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity measured using LtK- cell membranes expressing Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2


J Med Chem 41: 2537-52 (1998)


Article DOI: 10.1021/jm970460b
BindingDB Entry DOI: 10.7270/Q2QN65WP
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50065229
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro-15-1788 binding to human GABA A receptor (alpha5-beta3-gamma2) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50065229
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3
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1n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50065229
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3
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2.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha5-beta3-gamma2 subunits


J Med Chem 45: 1176-9 (2002)


BindingDB Entry DOI: 10.7270/Q26Q1WKG
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50065229
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3
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2.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human GABA A alpha5-beta3-gamma2 receptor,using a [3H]-Ro- 15-1788 radioligand


J Med Chem 46: 2227-40 (2003)


Article DOI: 10.1021/jm020582q
BindingDB Entry DOI: 10.7270/Q2BK1BP2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50065229
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3
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2.20n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL




Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50065229
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3
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2.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha5-beta3-gamma2 expressed in L(tk-) cells


J Med Chem 47: 5829-32 (2004)


Article DOI: 10.1021/jm040863t
BindingDB Entry DOI: 10.7270/Q2CZ36MC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50065229
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3
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2.30n/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 GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50065229
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3
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n/an/an/an/a 3n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human alpha5beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem 18: 8374-82 (2010)


Article DOI: 10.1016/j.bmc.2010.09.058
BindingDB Entry DOI: 10.7270/Q2FB536X
More data for this
Ligand-Target Pair