BDBM721486 US20250059154, Compound 21

SMILES CCC[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccncc4C4CC4)nc(-c4ccccc4F)c3CC[C@H]12

InChI Key InChIKey=WRWDETDLBQNEFP-UHFFFAOYSA-N

  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 9 hits for monomerid = 721486   

TargetNuclear receptor ROR-gamma [C285S](Human)
Reata Pharmaceuticals

US Patent
LigandPNGBDBM721486(US20250059154, Compound 21)
Affinity DataIC50: 28.1nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/19/2025
Entry Details
US Patent

TargetNuclear receptor ROR-gamma [C345S](Human)
Reata Pharmaceuticals

US Patent
LigandPNGBDBM721486(US20250059154, Compound 21)
Affinity DataIC50: 37.4nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/19/2025
Entry Details
US Patent

TargetNuclear receptor ROR-gamma(Human)
Reata Pharmaceuticals

US Patent
LigandPNGBDBM721486(US20250059154, Compound 21)
Affinity DataIC50: 39.5nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/19/2025
Entry Details
US Patent

TargetNuclear receptor ROR-gamma [C278S](Human)
Reata Pharmaceuticals

US Patent
LigandPNGBDBM721486(US20250059154, Compound 21)
Affinity DataIC50: 46.5nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/19/2025
Entry Details
US Patent

TargetNuclear receptor ROR-gamma [C393S](Human)
Reata Pharmaceuticals

US Patent
LigandPNGBDBM721486(US20250059154, Compound 21)
Affinity DataIC50: 48.7nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/19/2025
Entry Details
US Patent

TargetNuclear receptor ROR-gamma [C366S](Human)
Reata Pharmaceuticals

US Patent
LigandPNGBDBM721486(US20250059154, Compound 21)
Affinity DataIC50: 50.3nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/19/2025
Entry Details
US Patent

TargetNuclear receptor ROR-gamma [C455S](Human)
Reata Pharmaceuticals

US Patent
LigandPNGBDBM721486(US20250059154, Compound 21)
Affinity DataIC50: 52.6nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/19/2025
Entry Details
US Patent

TargetNuclear receptor ROR-gamma [C320S](Human)
Reata Pharmaceuticals

US Patent
LigandPNGBDBM721486(US20250059154, Compound 21)
Affinity DataIC50: 58.3nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/19/2025
Entry Details
US Patent

TargetNuclear receptor ROR-gamma [C320A](Human)
Reata Pharmaceuticals

US Patent
LigandPNGBDBM721486(US20250059154, Compound 21)
Affinity DataIC50: 64.1nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/19/2025
Entry Details
US Patent