BDBM335414 4-(2-{(3S)-8-chloro-7-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]-5-oxo-1,2,3,5-tetrahydro-3-indolizinyl}-1H-imidazol-5-yl)-2-thiophenecarboxylic acid trifluoroacetate::US10717738, Example 391::US9732085, 391

SMILES OC(=O)c1cc(cs1)-c1cnc([nH]1)[C@@H]1CCc2c(Cl)c(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1

InChI Key InChIKey=QBEFDLOSPLXQOQ-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 = 335414   

TargetCoagulation factor XI(Human)
Ono Pharmaceutical

US Patent
LigandPNGBDBM335414(US9732085, 391 | 4-(2-{(3S)-8-chloro-7-[5-chloro-2...)
Affinity DataIC50: 1.10nMAssay Description:Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent

TargetCoagulation factor XI(Human)
Ono Pharmaceutical

US Patent
LigandPNGBDBM335414(US9732085, 391 | 4-(2-{(3S)-8-chloro-7-[5-chloro-2...)
Affinity DataIC50: 1.10nMAssay Description:Human Factor XIa activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6000, 50 mM HEPES-NaOH (pH7.4) wit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2021
Entry Details
Go to US Patent