BDBM50110703 6,6-Dimethyl-3-methylsulfanyl-1-(1H-pyrazol-3-yl)-6,7-dihydro-5H-benzo[c]thiophen-4-one::CHEMBL17354

SMILES CSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12

InChI Key InChIKey=YMIKAQYPFQWUEM-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 = 50110703   

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

Curated by ChEMBL
LigandPNGBDBM50110703(6,6-Dimethyl-3-methylsulfanyl-1-(1H-pyrazol-3-yl)-...)
Affinity DataKi:  5.20nMAssay Description:Binding affinity to human GABA A alpha5-beta3-gamma2 receptor,using a [3H]-Ro- 15-1788 radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110703(6,6-Dimethyl-3-methylsulfanyl-1-(1H-pyrazol-3-yl)-...)
Affinity DataKi:  5.20nMAssay Description:Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha5-beta3-gamma2 subunitsMore 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 & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110703(6,6-Dimethyl-3-methylsulfanyl-1-(1H-pyrazol-3-yl)-...)
Affinity DataKi:  21nMAssay Description:Binding affinity to human gamma-amino butyric-acid A receptor alpha3beta3gamma2, using a [3H]-Ro- 15-1788 radioligandMore 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 & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110703(6,6-Dimethyl-3-methylsulfanyl-1-(1H-pyrazol-3-yl)-...)
Affinity DataKi:  21nMAssay Description:Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha3-beta3-gamma2 subunitsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110703(6,6-Dimethyl-3-methylsulfanyl-1-(1H-pyrazol-3-yl)-...)
Affinity DataKi:  56nMAssay Description:Binding affinity to human gamma-amino butyric-acid A receptor alpha2beta3gamma2, using a [3H]-Ro- 15-1788 radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110703(6,6-Dimethyl-3-methylsulfanyl-1-(1H-pyrazol-3-yl)-...)
Affinity DataKi:  56nMAssay Description:Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha2-beta3-gamma2 subunitsMore 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 & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110703(6,6-Dimethyl-3-methylsulfanyl-1-(1H-pyrazol-3-yl)-...)
Affinity DataKi:  66nMAssay Description:Binding affinity to human gamma-aminobutyric-acid A receptor alpha1beta3gamma2, determined using [3H]-Ro- 15-1788 radioligandMore 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 & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110703(6,6-Dimethyl-3-methylsulfanyl-1-(1H-pyrazol-3-yl)-...)
Affinity DataKi:  66nMAssay Description:Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha1-beta3-gamma2 subunitsMore data for this Ligand-Target Pair
Target InfoGoogleScholar
In DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110703(6,6-Dimethyl-3-methylsulfanyl-1-(1H-pyrazol-3-yl)-...)
Affinity DataKi:  234nMAssay 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 DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110703(6,6-Dimethyl-3-methylsulfanyl-1-(1H-pyrazol-3-yl)-...)
Affinity DataKi:  377nMAssay 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 DepthDetails ArticlePubMed