BDBM416444 N-(4-(ethylsulfonyl)benzyl)-1-(2-methylallyl)-2-(4-(trifluoromethyl)benzyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide::US10301261, Compound AI-3::US10829448, Compound AI-3

SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3n(CC(C)=C)c(Cc4ccc(cc4)C(F)(F)F)cc3c2)cc1

InChI Key InChIKey=UXINOPAZYPFAIR-UHFFFAOYSA-N

Data  2 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 416444   

TargetNuclear receptor ROR-gamma(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM416444(US10301261, Compound AI-3 | N-(4-(ethylsulfonyl)be...)
Affinity DataKi: <100nMAssay Description:Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/28/2021
Entry Details
US Patent

TargetNuclear receptor ROR-gamma(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM416444(US10301261, Compound AI-3 | N-(4-(ethylsulfonyl)be...)
Affinity DataKi: <100nMAssay Description:Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details
US Patent

TargetNuclear receptor ROR-gamma(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM416444(US10301261, Compound AI-3 | N-(4-(ethylsulfonyl)be...)
Affinity DataIC50: 550nMAssay Description:Compounds described herein were tested for RORγ inverse agonist activity in a cell-based, transcriptional activity assay. Secreted Nanoluc lucif...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details
US Patent