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PubMed code 17306981

Compile data set for download or QSAR
Found 8 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
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50205615
PNG
(3-iodo-8-ethoxypyrazolo[5,1-c][1,2,4]benzotriazine...)
Show SMILES CCOc1ccc2n[n+]([O-])c3c(I)cnn3c2c1
Show InChI InChI=1S/C11H9IN4O2/c1-2-18-7-3-4-9-10(5-7)15-11(16(17)14-9)8(12)6-13-15/h3-6H,2H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha1beta2gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 2573-86 (2007)


Article DOI: 10.1016/j.bmc.2007.01.053
BindingDB Entry DOI: 10.7270/Q2ZP45TJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50205622
PNG
(8-ethoxy-3-iodo-benzo[e]pyrazolo[5,1-c][1,2,4]tria...)
Show SMILES CCOc1ccc2[n+]([O-])nc3c(I)cnn3c2c1
Show InChI InChI=1S/C11H9IN4O2/c1-2-18-7-3-4-9-10(5-7)15-11(14-16(9)17)8(12)6-13-15/h3-6H,2H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
4.10n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha1beta2gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 2573-86 (2007)


Article DOI: 10.1016/j.bmc.2007.01.053
BindingDB Entry DOI: 10.7270/Q2ZP45TJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
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

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KEGG
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PDB
Article
PubMed
12n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha1beta2gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 2573-86 (2007)


Article DOI: 10.1016/j.bmc.2007.01.053
BindingDB Entry DOI: 10.7270/Q2ZP45TJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50205615
PNG
(3-iodo-8-ethoxypyrazolo[5,1-c][1,2,4]benzotriazine...)
Show SMILES CCOc1ccc2n[n+]([O-])c3c(I)cnn3c2c1
Show InChI InChI=1S/C11H9IN4O2/c1-2-18-7-3-4-9-10(5-7)15-11(16(17)14-9)8(12)6-13-15/h3-6H,2H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
12.3n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha3beta2gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 2573-86 (2007)


Article DOI: 10.1016/j.bmc.2007.01.053
BindingDB Entry DOI: 10.7270/Q2ZP45TJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50205616
PNG
(3-iodo-8-ethoxypyrazolo[5,1-c][1,2,4]benzotriazine...)
Show SMILES CCOc1ccc2nnc3c(I)cnn3c2c1
Show InChI InChI=1S/C11H9IN4O/c1-2-17-7-3-4-9-10(5-7)16-11(15-14-9)8(12)6-13-16/h3-6H,2H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13.8n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha1beta2gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 2573-86 (2007)


Article DOI: 10.1016/j.bmc.2007.01.053
BindingDB Entry DOI: 10.7270/Q2ZP45TJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
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

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha3beta2gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 2573-86 (2007)


Article DOI: 10.1016/j.bmc.2007.01.053
BindingDB Entry DOI: 10.7270/Q2ZP45TJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50205622
PNG
(8-ethoxy-3-iodo-benzo[e]pyrazolo[5,1-c][1,2,4]tria...)
Show SMILES CCOc1ccc2[n+]([O-])nc3c(I)cnn3c2c1
Show InChI InChI=1S/C11H9IN4O2/c1-2-18-7-3-4-9-10(5-7)15-11(14-16(9)17)8(12)6-13-15/h3-6H,2H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
34n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha3beta2gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 2573-86 (2007)


Article DOI: 10.1016/j.bmc.2007.01.053
BindingDB Entry DOI: 10.7270/Q2ZP45TJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50205616
PNG
(3-iodo-8-ethoxypyrazolo[5,1-c][1,2,4]benzotriazine...)
Show SMILES CCOc1ccc2nnc3c(I)cnn3c2c1
Show InChI InChI=1S/C11H9IN4O/c1-2-17-7-3-4-9-10(5-7)16-11(15-14-9)8(12)6-13-16/h3-6H,2H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
133n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha3beta2gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 2573-86 (2007)


Article DOI: 10.1016/j.bmc.2007.01.053
BindingDB Entry DOI: 10.7270/Q2ZP45TJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%