null

SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F

InChI Key InChIKey=SDMTXZKAASAJMI-GYCJOSAFSA-N

  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 = 247414   

TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb Company

US Patent
LigandPNGBDBM247414(US10336754, Example 368 | US11053247, Example 368 ...)copy SMILEScopy InChI
Affinity DataKi:  0.100nM ΔG°:  -14.2kcal/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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q25X27VBUS Patent
TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb Company

US Patent
LigandPNGBDBM247414(US10336754, Example 368 | US11053247, Example 368 ...)copy SMILEScopy InChI
Affinity DataKi:  0.100nM ΔG°:  -14.2kcal/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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q25X27VBUS Patent
TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb Company

US Patent
LigandPNGBDBM247414(US10336754, Example 368 | US11053247, Example 368 ...)copy SMILEScopy InChI
Affinity DataKi:  0.100nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2474D6FUS Patent
TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb Company

US Patent
LigandPNGBDBM247414(US10336754, Example 368 | US11053247, Example 368 ...)copy SMILEScopy InChI
Affinity DataKi:  0.100nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2HQ4325US Patent
TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb Company

US Patent
LigandPNGBDBM247414(US10336754, Example 368 | US11053247, Example 368 ...)copy SMILEScopy InChI
Affinity DataKi:  0.100nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2HQ4325US Patent
TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb Company

US Patent
LigandPNGBDBM247414(US10336754, Example 368 | US11053247, Example 368 ...)copy SMILEScopy InChI
Affinity DataKi:  0.100nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2474D6FUS Patent
TargetPlasma kallikrein(Homo sapiens (Human))
Bristol-Myers Squibb Co.

US Patent
LigandPNGBDBM247414(US10336754, Example 368 | US11053247, Example 368 ...)copy SMILEScopy InChI
Affinity DataKi:  24nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2474D6FUS Patent
TargetPlasma kallikrein(Homo sapiens (Human))
Bristol-Myers Squibb Co.

US Patent
LigandPNGBDBM247414(US10336754, Example 368 | US11053247, Example 368 ...)copy SMILEScopy InChI
Affinity DataKi:  24nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2HQ4325US Patent
TargetPlasma kallikrein(Homo sapiens (Human))
Bristol-Myers Squibb Co.

US Patent
LigandPNGBDBM247414(US10336754, Example 368 | US11053247, Example 368 ...)copy SMILEScopy InChI
Affinity DataKi:  24nM 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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q25X27VBUS Patent
TargetPlasma kallikrein(Homo sapiens (Human))
Bristol-Myers Squibb Co.

US Patent
LigandPNGBDBM247414(US10336754, Example 368 | US11053247, Example 368 ...)copy SMILEScopy InChI
Affinity DataKi:  32nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2474D6FUS Patent
TargetPlasma kallikrein(Homo sapiens (Human))
Bristol-Myers Squibb Co.

US Patent
LigandPNGBDBM247414(US10336754, Example 368 | US11053247, Example 368 ...)copy SMILEScopy InChI
Affinity DataKi:  32nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2HQ4325US Patent
TargetPlasma kallikrein(Homo sapiens (Human))
Bristol-Myers Squibb Co.

US Patent
LigandPNGBDBM247414(US10336754, Example 368 | US11053247, Example 368 ...)copy SMILEScopy InChI
Affinity DataKi:  32nM ΔG°:  -10.6kcal/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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q25X27VBUS Patent