BDBM385518 4-((R or S)-1-(2-(azetidin-1-yl)-4-methylnicotinoyl)-6-(3-methoxyazetidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl)cyclohex-3-ene-1-carboxylic acid::US10287272, Example 10A

SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(C)ccnc1N1CCC1

InChI Key InChIKey=BFBGFSFNWOIKPW-UHFFFAOYSA-N

Data  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 1 hit for monomerid = 385518   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 385518BDBM385518(4-((R or S)-1-(2-(azetidin-1-yl)-4-methylnicotinoy...)
Affinity DataIC50: 508nMAssay 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