BDBM688767 (7S,13R)-9-(2-chloro-6-fluoro-phenyl)-13-(difluoromethyl)-7-methyl-3-pyridazin-3-yl-16-thia-2,4,5,8-tetrazatetracyclo [8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaene::US20240190889, Example 12

SMILES C[C@@H]1N=C(c2c3C[C@H](Cc3sc2-n2c1nnc2-c1cccnn1)C(F)F)c1c(F)cccc1Cl

InChI Key InChIKey=ZYUFFEHYCLAOPR-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 688767   

LigandPNGBDBM688767(US20240190889, Example 12 | (7S,13R)-9-(2-chloro-6...)
Affinity DataKi:  3.70nMAssay Description:The affinity of compounds at GABAA γ1 subunit-containing receptors was measured by competition for [3H]RO7239181 (67.3 Ci/mmol: Roche) binding t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2024
Entry Details
US Patent

LigandPNGBDBM688767(US20240190889, Example 12 | (7S,13R)-9-(2-chloro-6...)
Affinity DataKi:  13.4nMAssay Description:The affinity of compounds at GABAA γ1 subunit-containing receptors was measured by competition for [3H]RO7239181 (67.3 Ci/mmol: Roche) binding t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2024
Entry Details
US Patent

LigandPNGBDBM688767(US20240190889, Example 12 | (7S,13R)-9-(2-chloro-6...)
Affinity DataKi:  2.36E+3nMAssay Description:The affinity of compounds at GABAA γ2 subunit-containing receptors was measured by competition for [3H]Flumazenil (81.1 Ci/mmol; Roche) binding ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2024
Entry Details
US Patent