BDBM50067436 (S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl)-3b,4,5,6-tetrahydro-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulen-7-one::9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl)-3b,4,5,6-tetrahydro-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulen-7-one::CHEMBL335888

SMILES CC(C)c1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C

InChI Key InChIKey=KDGMRQJYYKGVCJ-UHFFFAOYSA-N

Data  10 KI

  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 10 hits for monomerid = 50067436   

TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50067436((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...)
Affinity DataKi:  4.80nMAssay Description:Binding affinity for Gamma-aminobutyric acid A receptor alpha-5-beta-3-gamma-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50067436((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...)
Affinity DataKi:  4.80nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50067436((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...)
Affinity DataKi:  73nMAssay Description:Binding affinity against alpha-1-beta-3-gamma-2 GABAA/BzR receptor subtype.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50067436((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...)
Affinity DataKi:  73nMAssay 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 Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50067436((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...)
Affinity DataKi:  85nMAssay 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 Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50067436((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...)
Affinity DataKi:  85nMAssay Description:Binding affinity tested against alpha-2-beta-3-gamma-2 GABAA/BzR receptor subtype.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50067436((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...)
Affinity DataKi:  97nMAssay Description:Binding affinity against alpha-3-beta-3-gamma-2 GABAA/BzR receptor subtype.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50067436((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...)
Affinity DataKi:  97nMAssay 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 Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50067436((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...)
Affinity DataKi:  333nMAssay Description:Binding affinity against Gamma-aminobutyric acid A receptor alpha-6-beta-3-gamma-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50067436((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...)
Affinity DataKi:  333nMAssay 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 Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed