BDBM133427 US8846719, 112

SMILES Cc1onc(c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)-c1ccc(F)cc1

InChI Key InChIKey=VCGRFBXVSFAGGA-UHFFFAOYSA-N

Data  8 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 133427   

TargetGamma-aminobutyric acid receptor subunit alpha-5(Human)
Gedeon Richter

Curated by ChEMBL
LigandPNGBDBM133427(US8846719, 112)
Affinity DataKi:  4.40nMAssay Description:Negative allosteric modulation of alpha5 GABAA (unknown origin)More data for this Ligand-Target Pair
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Human)
Gedeon Richter

Curated by ChEMBL
LigandPNGBDBM133427(US8846719, 112)
Affinity DataKi:  4.40nMAssay Description:Displacement of [3H]Ro151788 from human recombinant alpha5beta3gamma2 GABAA receptor stably expressed in HEK293 cell membrane assessed as inhibition ...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-5(Human)
Gedeon Richter

Curated by ChEMBL
LigandPNGBDBM133427(US8846719, 112)
Affinity DataKi:  4.70nM ΔG°:  -10.6kcal/molepH: 7.5 T: 4°CAssay Description:Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-5(Human)
Gedeon Richter

Curated by ChEMBL
LigandPNGBDBM133427(US8846719, 112)
Affinity DataKi:  4.70nMAssay Description:Binding affinity to GABA-A alpha5 (unknown origin)More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-3(Human)
University of Sussex

Curated by ChEMBL
LigandPNGBDBM133427(US8846719, 112)
Affinity DataKi:  489nMAssay Description:Binding affinity to GABA-A alpha3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-2(Human)
University of Sussex

Curated by ChEMBL
LigandPNGBDBM133427(US8846719, 112)
Affinity DataKi:  502nMAssay Description:Binding affinity to GABA-A alpha2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Human)
University of Sussex

Curated by ChEMBL
LigandPNGBDBM133427(US8846719, 112)
Affinity DataKi:  985nMAssay Description:Binding affinity to GABA-A alpha1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Human)
University of Sussex

Curated by ChEMBL
LigandPNGBDBM133427(US8846719, 112)
Affinity DataKi:  1.21E+3nMAssay Description:Negative allosteric modulation of alpha1 GABAA (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed