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.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50067424   

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
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
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
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
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
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
In DepthDetails Article