BDBM50067438 (S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b,4,5,6-tetrahydro-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulen-7-one::3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b,4,5,6-tetrahydro-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulen-7-one::CHEMBL134175

SMILES CCc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C

InChI Key InChIKey=CIEFWAZHWHSMGL-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 = 50067438   

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

Curated by ChEMBL
LigandPNGBDBM50067438((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...)
Affinity DataKi:  2.40nMAssay 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
LigandPNGBDBM50067438((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...)
Affinity DataKi:  2.40nMAssay 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
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50067438((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...)
Affinity DataKi:  40nMAssay 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
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50067438((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...)
Affinity DataKi:  40nMAssay 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
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50067438((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...)
Affinity DataKi:  85nMAssay 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-3/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50067438((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...)
Affinity DataKi:  85nMAssay 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-1/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50067438((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...)
Affinity DataKi:  86nMAssay 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
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50067438((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...)
Affinity DataKi:  86nMAssay 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-6/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50067438((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...)
Affinity DataKi:  150nMAssay 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
LigandPNGBDBM50067438((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...)
Affinity DataKi:  150nMAssay 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