BDBM404630 (1R or S)-4-(1-{[2-chloro-6-(1- cyanocyclopropyl)phenyl] carbonyl}-1,4,5,7- tetrahydropyrano[3,4- c]pyrazol-3-yl)cyclohex-3-ene- 1-carboxylic acid::US10344000, Example 2B-A::US10344000, Example 2B-B

SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C#N)c2COCCc12

InChI Key InChIKey=KGZRAQJFRXGZTN-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 = 404630   

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

US Patent
LigandPNGBDBM404630((1R or S)-4-(1-{[2-chloro-6-(1- cyanocyclopropyl)p...)
Affinity DataIC50: 728nMAssay 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:
6/9/2020
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM404630((1R or S)-4-(1-{[2-chloro-6-(1- cyanocyclopropyl)p...)
Affinity DataIC50: 978nMAssay 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:
6/9/2020
Entry Details
Go to US Patent