BDBM643733 (4S)-8-bromo-7-chloro-1-cyclopropyl-6-(3-fluoro-2-pyridyl)-4-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine::US20240002393, Example 83

SMILES C[C@@H]1N=C(c2ncccc2F)c2c(Cl)c(Br)ccc2-n2c(nnc12)C1CC1

InChI Key InChIKey=DMFKLCONGDUSKT-VIFPVBQESA-N

Data  4 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 643733   

TargetGamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-1(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM643733((4S)-8-bromo-7-chloro-1-cyclopropyl-6-(3-fluoro-2-...)
Affinity DataKi:  2.70nMAssay Description:Table 1: Radioligand binding assays were carried out in a volume of 200 μL (96-well plates) which contained 100 μL of cell membranes, [3H]F...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetGamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-1(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM643733((4S)-8-bromo-7-chloro-1-cyclopropyl-6-(3-fluoro-2-...)
Affinity DataKi:  23.2nMAssay Description:Table 2: Electrophysiological experiments were performed using the Roboocyte instrument (MultiChannelSystems, Reutlingen, Germany) on days 3 to 5 aft...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-1(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM643733((4S)-8-bromo-7-chloro-1-cyclopropyl-6-(3-fluoro-2-...)
Affinity DataKi:  128nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM643733((4S)-8-bromo-7-chloro-1-cyclopropyl-6-(3-fluoro-2-...)
Affinity DataKi:  853nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent