BDBM385401 4-((R or S)-6-(3-(1H- pyrazol-1-yl)azetidine- 1-carbonyl)-1-(2- chloro-6- cyclopropylbenzoyl)- 4,5,6,7-tetrahydro-1H- indazol-3-yl)cyclohex- 3-ene-1-carboxylic acid::US10287272, Example 2J::US10689369, Example 2J

SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC(C1)n1cccn1

InChI Key InChIKey=XIMCDLQQQHCAIP-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 385401   

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

US Patent
LigandPNGBDBM385401(4-((R or S)-6-(3-(1H- pyrazol-1-yl)azetidine- 1-ca...)
Affinity DataIC50: 2nMAssay 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
Go to US Patent

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

US Patent
LigandPNGBDBM385401(4-((R or S)-6-(3-(1H- pyrazol-1-yl)azetidine- 1-ca...)
Affinity DataIC50: 2nMAssay 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
Go to US Patent