BDBM497647 (2S)-2-hydroxy-N-[5-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,11-dimethyl-3,4- diazatricyclo[6.2.1.02,7]undeca-2(7),3,5- trien-1-yl]pyrazin-2-yl]-2- pyridyl]propanamide::US11008312, Example 141

SMILES C[C@H](O)C(=O)Nc1ccc(cn1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C

InChI Key InChIKey=PWYQKDOSMLZQNK-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 497647   

TargetNuclear receptor ROR-gamma(Human)
Genentech

US Patent
LigandPNGBDBM497647((2S)-2-hydroxy-N-[5-[6-[(1S,8R)-5-(2,6- difluoroph...)
Affinity DataIC50: 5.30nMAssay Description:50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2021
Entry Details
Go to US Patent