BDBM50110713 3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6,7-dihydro-5H-benzo[c]thiophen-4-one::CHEMBL274281

SMILES CCSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12

InChI Key InChIKey=ZQLRNXSQXQGVBK-UHFFFAOYSA-N

Data  10 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50110713   

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

Curated by ChEMBL
LigandPNGBDBM50110713(3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6...)
Affinity DataKi:  1.60nMAssay Description:Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha-5-beta-3-gamma-2 subunitsMore 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)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110713(3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6...)
Affinity DataKi:  1.60nMAssay Description:Binding affinity to human GABA A alpha-5-beta-3-gamma-2 receptor, using a [3H]-Ro- 15-1788 radioligandMore 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)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110713(3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6...)
Affinity DataKi:  12nMAssay Description:Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha-1-beta-3-gamma-2 subunitsMore 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)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110713(3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6...)
Affinity DataKi:  12nMAssay Description:Binding affinity to human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2, determined using [3H]-Ro- 15-1788 radioligandMore 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)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110713(3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6...)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha-3-beta-3-gamma-2 subunitsMore 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)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110713(3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6...)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha-2-beta-3-gamma-2 subunitsMore 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)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110713(3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6...)
Affinity DataKi:  16nMAssay Description:Binding affinity to human gamma-amino butyric-acid A receptor alpha-3-beta-3-gamma-2, using a [3H]-Ro- 15-1788 radioligandMore 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)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110713(3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6...)
Affinity DataKi:  16nMAssay Description:Binding affinity to human gamma-amino butyric-acid A receptor alpha-2-beta-3-gamma-2, using a [3H]-Ro- 15-1788 radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110713(3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6...)
Affinity DataKi:  156nMAssay Description:Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2017
Entry Details Article
PubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110713(3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6...)
Affinity DataKi:  177nMAssay Description:Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2017
Entry Details Article
PubMed