BDBM621741 BDBM621799::US11802122, Example 4A::US20230312522, Compound 6::US20230312522, Compound 7

SMILES Fc1ccc(cc1Cl)[C@@H](NC(=O)[C@@H]1CNC(=O)N1)c1cc([nH]n1)C(F)(F)F

InChI Key InChIKey=VEHRDMKHZPEBNI-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:
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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 = 621741   

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

US Patent
LigandPNGBDBM621741(US11802122, Example 4A | BDBM621799 | US2023031252...)
Affinity DataIC50: 203nMAssay 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
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TargetSodium channel protein type 8 subunit alpha(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM621741(US11802122, Example 4A | BDBM621799 | US2023031252...)
Affinity DataIC50: 6.20nMAssay 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
LigandPNGBDBM621741(US11802122, Example 4A | BDBM621799 | 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
LigandPNGBDBM621741(US11802122, Example 4A | BDBM621799 | 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