BDBM247413 US10336754, Example 363::US11053247, Example 363::US9453018, 362::US9453018, 363

SMILES C[C@@H]1CCC[C@@H](c2ccnc(c2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1

InChI Key InChIKey=PYWPRMLFPPPQRF-UHFFFAOYSA-N

Data  12 KI

  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 12 hits for monomerid = 247413   

TargetCoagulation factor XI(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247413(US9453018, 363 | US9453018, 362 | US10336754, Exam...)
Affinity DataKi:  0.200nM ΔG°:  -13.8kcal/molepH: 7.4 T: 2°CAssay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2017
Entry Details
Go to US Patent

TargetCoagulation factor XI(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247413(US9453018, 363 | US9453018, 362 | US10336754, Exam...)
Affinity DataKi:  0.200nM ΔG°:  -13.8kcal/molepH: 7.4 T: 2°CAssay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2017
Entry Details
Go to US Patent

TargetCoagulation factor XI(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247413(US9453018, 363 | US9453018, 362 | US10336754, Exam...)
Affinity DataKi:  0.200nMAssay Description:The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2020
Entry Details
Go to US Patent

TargetCoagulation factor XI(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247413(US9453018, 363 | US9453018, 362 | US10336754, Exam...)
Affinity DataKi:  0.200nMAssay Description:The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2020
Entry Details
Go to US Patent

TargetCoagulation factor XI(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247413(US9453018, 363 | US9453018, 362 | US10336754, Exam...)
Affinity DataKi:  0.200nMAssay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/13/2022
Entry Details
Go to US Patent

TargetCoagulation factor XI(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247413(US9453018, 363 | US9453018, 362 | US10336754, Exam...)
Affinity DataKi:  0.200nMAssay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/13/2022
Entry Details
Go to US Patent

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247413(US9453018, 363 | US9453018, 362 | US10336754, Exam...)
Affinity DataKi:  22nM ΔG°:  -10.9kcal/molepH: 7.5 T: 2°CAssay Description:Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2017
Entry Details
Go to US Patent

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247413(US9453018, 363 | US9453018, 362 | US10336754, Exam...)
Affinity DataKi:  22nMAssay Description:The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2020
Entry Details
Go to US Patent

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247413(US9453018, 363 | US9453018, 362 | US10336754, Exam...)
Affinity DataKi:  22nMAssay Description:Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/13/2022
Entry Details
Go to US Patent

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247413(US9453018, 363 | US9453018, 362 | US10336754, Exam...)
Affinity DataKi:  23nM ΔG°:  -10.8kcal/molepH: 7.5 T: 2°CAssay Description:Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2017
Entry Details
Go to US Patent

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247413(US9453018, 363 | US9453018, 362 | US10336754, Exam...)
Affinity DataKi:  23nMAssay Description:The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2020
Entry Details
Go to US Patent

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247413(US9453018, 363 | US9453018, 362 | US10336754, Exam...)
Affinity DataKi:  23nMAssay Description:Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/13/2022
Entry Details
Go to US Patent