BDBM385451 4-((R or S)-1-(2- chloro-6-cyclopropyl- 3-fluorobenzoyl)-6- (3-fluoro-[1,3'- biazetidine]-1'- carbonyl)-4,5,6,7- tetrahydro-1H- indazol-3- yl)cyclohex-3-ene-1- carboxylic acid::US10287272, Example 4B::US10689369, Example 4B

SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)c(F)ccc2C2CC2)c2CC(CCc12)C(=O)N1CC(C1)N1CC(F)C1

InChI Key InChIKey=UQZYXWRKUCWMJO-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 385451   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 385451BDBM385451(4-((R or S)-1-(2- chloro-6-cyclopropyl- 3-fluorobe...)
Affinity DataIC50: 4nMAssay Description:To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2020
Entry Details
US Patent

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

US Patent
LigandChemical structure of BindingDB Monomer ID 385451BDBM385451(4-((R or S)-1-(2- chloro-6-cyclopropyl- 3-fluorobe...)
Affinity DataIC50: 4nMAssay 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:
2/22/2021
Entry Details
US Patent