BDBM26263 Anexate::CHEMBL407::FLUMAZENIL::Ro15-1788::Romazicon::[3H]Ro15-1788::ethyl 12-fluoro-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaene-5-carboxylate

SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21

InChI Key InChIKey=OFBIFZUFASYYRE-UHFFFAOYSA-N

Data  77 KI  9 IC50  1 Kd  3 Other

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 90 hits for monomerid = 26263   

TargetGamma-aminobutyric acid receptor subunit alpha-1 [G157C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University Of Wisconsin At Madison

LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.190nM ΔG°:  -13.3kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.480nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.490nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Heidelberg

Curated by ChEMBL
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.5nMAssay Description:Binding affinity for rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.600nMAssay Description:Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2More data for this Ligand-Target Pair
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.600nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2(Rattus norvegicus (Rat))
Heidelberg

Curated by ChEMBL
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.600nMAssay Description:Binding affinity for rat GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (Human))
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.620nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetGamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (Human))
Universidad Nacional Aut£Noma De M£Xico

Curated by ChEMBL
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.631nMAssay Description:Binding affinity to GABBA alpha5 (unknown origin)More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (Human))
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.720nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (Human))
Universidad Nacional Aut£Noma De M£Xico

Curated by ChEMBL
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.794nMAssay Description:Binding affinity to GABBA alpha2 (unknown origin)More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.794nMAssay Description:Binding affinity to GABBA alpha1 (unknown origin)More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.800nMAssay Description:Binding affinity against alpha1-beta3-gamma2 GABAA/BzR receptor subtype.More data for this Ligand-Target Pair
Target InfoGoogleScholar
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.800nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2More data for this Ligand-Target Pair
Target InfoGoogleScholar
In DepthDetails ArticlePubMed
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.810nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Tokyo Dental College

Curated by PDSP Ki Database
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.870nMMore data for this Ligand-Target Pair
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.900nMAssay Description:Binding affinity of the compound tested against alpha2-beta3-gamma2 GABAA/BzR receptor subtype.More data for this Ligand-Target Pair
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  0.900nMAssay Description:Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (Human))
Universidad Nacional Aut£Noma De M£Xico

Curated by ChEMBL
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (Human))
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  1nMAssay Description:Binding affinity to GABBA alpha3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  1.10nMAssay Description:Binding affinity against alpha3-beta3-gamma2 GABAA/BzR receptor subtype.More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  1.10nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-3-beta-3-gamma-2More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (Human))
Universidad Nacional Aut£Noma De M£Xico

Curated by ChEMBL
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  1.20nMMore data for this Ligand-Target Pair
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  1.39nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [V202C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University Of Wisconsin At Madison

LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  1.5nM ΔG°:  -12.0kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  1.52nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Tokyo Dental College

Curated by PDSP Ki Database
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  1.52nMMore data for this Ligand-Target Pair
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  1.79nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  1.90nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-5 [32-462]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University Of Wisconsin At Madison

LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  2nM ΔG°:  -11.7kcal/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1 [T206C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University Of Wisconsin At Madison

LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  2.10nM ΔG°:  -11.8kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [T162C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University Of Wisconsin At Madison

LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  2.20nM ΔG°:  -11.8kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  2.90nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [G200C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University Of Wisconsin At Madison

LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  3nM ΔG°:  -11.6kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  3.10nM ΔG°:  -11.6kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University Of Wisconsin At Madison

LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  3.30nM ΔG°:  -11.4kcal/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  3.30nM ΔG°:  -11.6kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  3.70nM ΔG°:  -11.5kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  3.80nM ΔG°:  -11.5kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [A160C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University Of Wisconsin At Madison

LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  4nM ΔG°:  -11.4kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  4.10nM ΔG°:  -11.4kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [V211C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University Of Wisconsin At Madison

LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  4.10nM ΔG°:  -11.4kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  4.40nM ΔG°:  -11.4kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  4.40nM ΔG°:  -11.4kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-2 [29-451]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University Of Wisconsin At Madison

LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  5.70nM ΔG°:  -11.1kcal/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [S205C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University Of Wisconsin At Madison

LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  6.5nM ΔG°:  -11.2kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-3 [29-492]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University Of Wisconsin At Madison

LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  8.10nM ΔG°:  -10.9kcal/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [S204C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University Of Wisconsin At Madison

LigandPNGBDBM26263(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Affinity DataKi:  8.80nM ΔG°:  -11.0kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
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