BDBM247411 US10336754, Example 353::US11053247, Example 353::US9453018, 353

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

InChI Key InChIKey=FSWFYCYPTDLKON-CMJOXMDJSA-N

Data  24 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 247411   

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

US Patent
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
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
TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
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
TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
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
TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi:  0.110nMAssay Description:Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...More data for this Ligand-Target Pair
TargetPlasma kallikrein(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi:  28nM ΔG°:  -10.7kcal/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 DepthDetails US Patent
TargetPlasma kallikrein(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi:  28nMAssay 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 DepthDetails US Patent
TargetPlasma kallikrein(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi:  28nMAssay 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 DepthDetails US Patent
TargetChymotrypsinogen B2(Homo sapiens)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi:  35nMAssay Description:Binding affinity to human chymotrypsin assessed as inhibition constant using 3-Carbomethoxypropionyl-L-arginyl-Lprolyl-L-tyrosine p-Nitroaniline as s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasma kallikrein(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi:  44nMAssay Description:Binding affinity to human plasma kallikrein assessed as inhibition constant using H-D-Prolyl-L-phenylalanyl-L-arginine p-Nitroaniline as substrate me...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTrypsin(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi:  720nMAssay Description:Binding affinity to human trypsin assessed as inhibition constant using N-Benzoyl-L-isoleucyl-L-glutamyl-glycyl-Larginine p-Nitroaniline and its gamm...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor VII(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi:  1.20E+3nMAssay Description:Binding affinity to recombinant human coagulation factor 7a assessed as inhibition constant using N-alpha-Benzyloxycarbonyl-D-arginyl-glycyl-Larginin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi:  1.20E+3nMAssay Description:Binding affinity to human thrombin assessed as inhibition constant using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate measured upto...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTissue-type plasminogen activator(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi:  2.30E+3nMAssay Description:Binding affinity to human tissue type plasminogen assessed as inhibition constant using Methanesulfonyl-D-Cyclohexylalanyl-glycylarginine p-Nitroanil...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasminogen(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi:  2.65E+3nMAssay Description:Binding affinity to human plasmin assessed as inhibition constant using H-D-Valyl-L-leucyl-L-lysine p-Nitroaniline as substrate measured upto 120 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XII(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi: >3.00E+3nMAssay Description:Binding affinity to human coagulation factor 12a assessed as inhibition constant using H-D-Cyclohexylalanyl-glycyl-arginyl p-Nitroaniline as substrat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUrokinase-type plasminogen activator(Homo sapiens)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi:  3.90E+3nMAssay Description:Binding affinity to human urokinase assessed as inhibition constant using L-Pyroglutamyl-glycyl-L-arginine p-Nitroaniline as substrate upto 120 mins ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil elastase(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi: >8.00E+3nMAssay Description:Binding affinity to human neutrophil elastase assessed as inhibition constant using Methoxysuccinyl-L-alanyl-L-alanyl-L-prolylL-valine p-Nitroaniline...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKallikrein-1(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi: >1.10E+4nMAssay Description:Binding affinity to human tissue kallikrein-1 assessed as inhibition constant using H-D-Valyl-L-leucyl-L-arginine 7-amino-4-trifluoromethylcoumarin a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMyeloblastin(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi: >1.20E+4nMAssay Description:Binding affinity to human neutrophil proteinase 3 assessed as inhibition constant using Methoxysuccinyl-L-alanyl-L-alanyl-L-prolylL-valine p-Nitroani...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi: >1.30E+4nMAssay Description:Binding affinity to human coagulation factor 10a assessed as inhibition constant using N-Benzoyl-L-isoleucyl-L-glutamyl-glycyl-Larginine p-Nitroanili...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetChymase(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi: >1.30E+4nMAssay Description:Binding affinity to human mast cell chymase assessed as inhibition constant using Succinyl-L-alanyl-L-alanyl-L-prolyl-L phenylalanine p-Nitroaniline ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin G(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi: >2.00E+4nMAssay Description:Binding affinity to human neutrophil cathepsin G assessed as inhibition constant using Succinyl-L-alanyl-L-alanyl-L-prolyl-Lphenylalanine p-Nitroanil...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVitamin K-dependent protein C(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi: >2.10E+4nMAssay Description:Binding affinity to human activated protein C assessed as inhibition constant using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate me...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor IX(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM247411(US10336754, Example 353 | US11053247, Example 353 ...)
Affinity DataKi: >2.70E+4nMAssay Description:Binding affinity to human coagulation factor 9a assessed as inhibition constant using Methylsulfonyl-D-cyclohexylglycyl-glycylarginine 7-amino-4-meth...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed