BDBM621743 BDBM621800::US11802122, Example 5A::US20230312522, Compound 10::US20230312522, Compound 9

SMILES Fc1ccc([C@H](NC(=O)[C@@H]2CNC(=O)N2)C2CCN(CC2)C2(CC2)C(F)(F)F)c(F)c1Cl

InChI Key InChIKey=TXMZTVOEZCLPIF-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 621743   

TargetSodium channel protein type 8 subunit alpha(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM621743(US11802122, Example 5A | BDBM621800 | US2023031252...)
Affinity DataIC50: 1.60nMAssay Description:The following buffers were used for the Qube recordings: External buffer for NaV1.8 Qube recording: 150 NaCl, 2 CaCl2, 5 KCl, 1 Mg Cl2, 10 HEPES, 12 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2023
Entry Details
Go to US Patent

TargetSodium channel protein type 8 subunit alpha(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM621743(US11802122, Example 5A | BDBM621800 | US2023031252...)
Affinity DataIC50: 1.60nMAssay Description:Compounds were tested on human NaV1.8 and NaV1.5 channels stably expressed in human embryo kidney (HEK) 293 cells. Sodium current measurements on Qub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2023
Entry Details
Go to US Patent

TargetCholesterol 24-hydroxylase(Human)
Sage Therapeutics

US Patent
LigandPNGBDBM621743(US11802122, Example 5A | BDBM621800 | US2023031252...)
Affinity DataIC50: 100nMAssay Description:Briefly, in a 384-well plate format, 10 uL per well of an enzyme-substrate mixture of CYP46A1 (5 uM final concentration) and Testosterone (10 mM fina...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2023
Entry Details
Go to US Patent

TargetCholesterol 24-hydroxylase(Human)
Sage Therapeutics

US Patent
LigandPNGBDBM621743(US11802122, Example 5A | BDBM621800 | US2023031252...)
Affinity DataIC50: 550nMAssay Description:Briefly, in a 384-well plate format, 10 uL per well of an enzyme-substrate mixture of CYP46A1 (5 uM final concentration) and Testosterone (10 mM fina...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2023
Entry Details
Go to US Patent