BDBM549968 (3S,4S)-1-Cyclohexyl-4-{[5-(2,4-difluoro-phenyl)-isoxazole-3-carbonyl]- amino}-piperidine-3-carboxylic acid ((1RS)-2-hydroxy-1-pyridin-2-yl-ethyl)- amide (mixture of isomers)::US11306078, Example 4.013

SMILES OCC(NC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1)c1ccccn1

InChI Key InChIKey=VDAUERLLSCIHKP-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 = 549968   

TargetAtypical chemokine receptor 3(Human)
Idorsia Pharmaceuticals

US Patent
LigandChemical structure of BindingDB Monomer ID 549968BDBM549968((3S,4S)-1-Cyclohexyl-4-{[5-(2,4-difluoro-phenyl)-i...)
Affinity DataIC50: 145nMAssay Description:Tango CXCR7-bla U2OS cells are detached from culture dishes with 0.05% trypsin-EDTA and collected in growing medium (McCoy's 5A 90% (v/v), dialyz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2022
Entry Details
US Patent