BDBM694697 (3-fluoroazetidin-1-yl)-[(7S)-9-(2,6-difluorophenyl)-7-methyl-13,16-dioxa-18-thia-2,3,5,8-tetrazatetracyclo[8.8.0.02,6.011,17]octadeca-1(10),3,5,8,11::US20240294543, Example 24

SMILES C[C@@H]1N=C(c2c3COCCOc3sc2-n2nc(nc12)C(=O)N1CC(F)C1)c1c(F)cccc1F

InChI Key InChIKey=VRQLWNLCMRAQOD-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 694697   

LigandPNGBDBM694697((3-fluoroazetidin-1-yl)-[(7S)-9-(2,6-difluoropheny...)
Affinity DataKi:  1.25nMAssay Description:Table 1: Radioligand binding assays were carried out in a volume of 200 uL (96-well plates) which contained 100 uL of cell membranes, [3H]Flumazenil ...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/21/2024
Entry Details
Go to US Patent

LigandPNGBDBM694697((3-fluoroazetidin-1-yl)-[(7S)-9-(2,6-difluoropheny...)
Affinity DataKi:  3.75nMAssay Description:Table 1: Radioligand binding assays were carried out in a volume of 200 uL (96-well plates) which contained 100 uL of cell membranes, [3H]Flumazenil ...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/21/2024
Entry Details
Go to US Patent

LigandPNGBDBM694697((3-fluoroazetidin-1-yl)-[(7S)-9-(2,6-difluoropheny...)
Affinity DataKi:  3.80nMAssay 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 InfoSimilars
In Depth
Date in BDB:
12/21/2024
Entry Details
Go to US Patent

LigandPNGBDBM694697((3-fluoroazetidin-1-yl)-[(7S)-9-(2,6-difluoropheny...)
Affinity DataKi:  24.7nMAssay Description:Table 1: Radioligand binding assays were carried out in a volume of 200 uL (96-well plates) which contained 100 uL of cell membranes, [3H]Flumazenil ...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/21/2024
Entry Details
Go to US Patent

LigandPNGBDBM694697((3-fluoroazetidin-1-yl)-[(7S)-9-(2,6-difluoropheny...)
Affinity DataKi:  2.60E+3nMAssay Description:Table 1: Radioligand binding assays were carried out in a volume of 200 uL (96-well plates) which contained 100 uL of cell membranes, [3H]Flumazenil ...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/21/2024
Entry Details
Go to US Patent