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Compile Data Set for Download or QSAR

Found 24 hits of ki for monomerid = 247411   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor XI


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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US Patent
0.100 -59.4n/an/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


Assay 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...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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US Patent
0.100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10336754 (2019)


BindingDB Entry DOI: 10.7270/Q2474D6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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0.100n/an/an/an/an/an/an/an/a


TBA

Assay 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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HQ4325
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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0.110n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Plasma kallikrein


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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US Patent
28 -44.8n/an/an/an/an/a7.537



Bristol-Myers Squibb Company

US Patent


Assay 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...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...


US Patent US10336754 (2019)


BindingDB Entry DOI: 10.7270/Q2474D6F
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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28n/an/an/an/an/an/an/an/a


TBA

Assay 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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HQ4325
More data for this
Ligand-Target Pair
Chymotrypsinogen B2


(Homo sapiens)
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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35n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human chymotrypsin assessed as inhibition constant using 3-Carbomethoxypropionyl-L-arginyl-Lprolyl-L-tyrosine p-Nitroaniline as s...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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44n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human plasma kallikrein assessed as inhibition constant using H-D-Prolyl-L-phenylalanyl-L-arginine p-Nitroaniline as substrate me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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720n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human trypsin assessed as inhibition constant using N-Benzoyl-L-isoleucyl-L-glutamyl-glycyl-Larginine p-Nitroaniline and its gamm...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human coagulation factor 7a assessed as inhibition constant using N-alpha-Benzyloxycarbonyl-D-arginyl-glycyl-Larginin...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human thrombin assessed as inhibition constant using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate measured upto...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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2.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human tissue type plasminogen assessed as inhibition constant using Methanesulfonyl-D-Cyclohexylalanyl-glycylarginine p-Nitroanil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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2.65E+3n/an/an/an/an/an/an/an/a


TBA

Assay 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...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human coagulation factor 12a assessed as inhibition constant using H-D-Cyclohexylalanyl-glycyl-arginyl p-Nitroaniline as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens)
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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3.90E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human urokinase assessed as inhibition constant using L-Pyroglutamyl-glycyl-L-arginine p-Nitroaniline as substrate upto 120 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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>8.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human neutrophil elastase assessed as inhibition constant using Methoxysuccinyl-L-alanyl-L-alanyl-L-prolylL-valine p-Nitroaniline...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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>1.10E+4n/an/an/an/an/an/an/an/a


TBA

Assay 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...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Myeloblastin


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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>1.20E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human neutrophil proteinase 3 assessed as inhibition constant using Methoxysuccinyl-L-alanyl-L-alanyl-L-prolylL-valine p-Nitroani...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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>1.30E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human coagulation factor 10a assessed as inhibition constant using N-Benzoyl-L-isoleucyl-L-glutamyl-glycyl-Larginine p-Nitroanili...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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>1.30E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human mast cell chymase assessed as inhibition constant using Succinyl-L-alanyl-L-alanyl-L-prolyl-L phenylalanine p-Nitroaniline ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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>2.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human neutrophil cathepsin G assessed as inhibition constant using Succinyl-L-alanyl-L-alanyl-L-prolyl-Lphenylalanine p-Nitroanil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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>2.10E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human activated protein C assessed as inhibition constant using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM247411
PNG
(US10336754, Example 353 | US11053247, Example 353 ...)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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>2.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human coagulation factor 9a assessed as inhibition constant using Methylsulfonyl-D-cyclohexylglycyl-glycylarginine 7-amino-4-meth...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00613
BindingDB Entry DOI: 10.7270/Q20005Z7
More data for this
Ligand-Target Pair