BDBM688768 (7S,13R)-9-(2,6-difluorophenyl)-3,7-dimethyl-13-(trifluoromethyl)-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 13

SMILES C[C@@H]1N=C(c2c3C[C@H](Cc3sc2-n2c(C)nnc12)C(F)(F)F)c1c(F)cccc1F

InChI Key InChIKey=XZUVYGZTGVSFPM-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 = 688768   

LigandPNGBDBM688768(US20240190889, Example 13 | (7S,13R)-9-(2,6-difluo...)
Affinity DataKi:  5.90nMAssay 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

LigandPNGBDBM688768(US20240190889, Example 13 | (7S,13R)-9-(2,6-difluo...)
Affinity DataKi:  16.2nMAssay 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

LigandPNGBDBM688768(US20240190889, Example 13 | (7S,13R)-9-(2,6-difluo...)
Affinity DataKi:  705nMAssay 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