BDBM359588 (R or S)-4-(1-(2- (difluoromethyl)-6- (1- (trifluoromethyl)cyclo- propyl)benzoyl)-6- (2-oxa-6- azaspiro[3.4]octane- 6-carbonyl)-4,5,6,7- tetrahydro-1H- indazol-3-yl)-3- fluorobenzoic acid::US10221142, Example 21CCC

SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(cccc3C3(CC3)C(F)(F)F)C(F)F)c3CC(CCc23)C(=O)N2CCC3(COC3)C2)c(F)c1

InChI Key InChIKey=WTIDMPLXMNXDCD-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 = 359588   

TargetNuclear receptor ROR-gamma(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM359588((R or S)-4-(1-(2- (difluoromethyl)-6- (1- (trifluo...)
Affinity DataIC50: 1.30nMAssay Description:The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/20/2019
Entry Details
US Patent