BDBM258589 BDBM440744::US9493486, 16A

SMILES c1cc(c(cc1C(F)(F)F)F)COC(=O)N2CCC3(CC2)CN(C3)C(=O)[C@H]4CCc5c(nn[nH]5)C4

InChI Key InChIKey=ZVAPUQBYQNLXGP-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 258589   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 258589BDBM258589(US9493486, 16A | BDBM440744)
Affinity DataIC50: 100nMpH: 8.0 T: 2°CAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2017
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 258589BDBM258589(US9493486, 16A | BDBM440744)
Affinity DataIC50: 100nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/12/2021
Entry Details
US Patent
PDB3D3D Structure (crystal)