BDBM50067424 (S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulene-3-carboxylic acid ethyl ester::9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulene-3-carboxylic acid ethyl ester(MSD)::CHEMBL52030

SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21

InChI Key InChIKey=YKYOQIXTECBVBB-AWEZNQCLSA-N

Data  34 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50067424   

TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  0.400nMAssay Description:Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cellsMore data for this Ligand-Target Pair
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  0.450nMAssay Description:Displacement of [3H]-Ro 15-1788 from Homo sapiens (human) recombinant GABAA alpha5beta3gamma2 receptor expressed in Ltk- cells after 1 hr by liquid s...More data for this Ligand-Target Pair
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  0.450nMAssay Description:Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  0.450nMAssay Description:Positive allosteric modulation of GABAA alpha5 (unknown origin)More data for this Ligand-Target Pair
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  0.450nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2More data for this Ligand-Target Pair
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  0.450nMAssay Description:Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cellsMore data for this Ligand-Target Pair
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  0.450nMAssay Description:In vitro binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  11nMAssay Description:Binding affinity for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (Human))
University Of Sussex

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  17nMAssay Description:Binding affinity to GABA-A alpha2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
University Of Sussex

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  17nMAssay Description:Binding affinity to GABA-A alpha1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (Human))
University Of Sussex

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  17nMAssay Description:Binding affinity to GABA-A alpha3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  22nMAssay Description:Binding affinity for human GABA-A receptor alpha2-beta3-gamma2 subunits in L(tk-) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  22.4nMAssay Description:Binding affinity towards human gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  24.5nMAssay Description:Binding affinity towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (Human))
University Of Sussex

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  25nMAssay Description:Positive allosteric modulation of GABAA alpha3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  25nMAssay Description:Displacement of [3H]-Ro 15-1788 from Homo sapiens (human) recombinant GABAA alpha3beta3gamma2 receptor expressed in Ltk- cells after 1 hr by liquid s...More data for this Ligand-Target Pair
In DepthDetails Article
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  25nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-3-beta-3-gamma-2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  27nMAssay Description:Displacement of [3H]-Ro 15-1788 from Homo sapiens (human) recombinant GABAA alpha2beta3gamma2 receptor expressed in Ltk- cells after 1 hr by liquid s...More data for this Ligand-Target Pair
In DepthDetails Article
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  27nMAssay Description:Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  27nMAssay Description:Binding affinity of the compound tested against alpha2-beta3-gamma2 GABAA/BzR receptor subtype.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (Human))
University Of Sussex

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  27nMAssay Description:Positive allosteric modulation of GABAA alpha2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  27.4nMAssay Description:In vitro binding affinity for human GABA-A receptor alpha2-beta3-gamma2 subunits expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  28nMAssay Description:Binding affinity against alpha3-beta3-gamma2 GABAA/BzR receptor subtype.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  44nMAssay Description:Binding affinity for human GABA-A receptor alpha4-beta3-gamma2 subunits in L(tk-) cellsMore 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))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  48.5nMAssay Description:Binding affinity towards human alpha1-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cellsMore 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))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  48.5nMAssay Description:In vitro binding affinity for human GABA-A receptor alpha1-beta3-gamma2 subunits expressed in L(tk-) cell membranesMore 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))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  49nMAssay 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
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  49nMAssay 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))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  49nMAssay Description:Displacement of [3H]-Ro 15-1788 from Homo sapiens (human) recombinant GABAA alpha1beta3gamma2 receptor expressed in Ltk- cells after 1 hr by liquid s...More data for this Ligand-Target Pair
Target InfoGoogleScholar
In DepthDetails Article
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
University Of Sussex

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  49nMAssay Description:Positive allosteric modulation of GABAA alpha1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  83nMAssay Description:Displacement of [3H]-Ro 15-4513 from Homo sapiens (human) recombinant GABAA alpha6beta3gamma2 receptor expressed in Ltk- cells after 1 hr by liquid s...More data for this Ligand-Target Pair
In DepthDetails Article
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  83nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-6-beta-3-gamma-2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  83nMAssay Description:Binding affinity against Gamma-aminobutyric-acid A receptor alpha6-beta3-gamma2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Affinity DataKi:  83nMAssay Description:In vitro binding affinity for human GABA-A receptor alpha6-beta3-gamma2 subunits expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed