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Patent code US11026937

Compile Data Set for Download or QSAR
Found 134 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501466
PNG
(US11026937, Compound I-60)
Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccc(=O)n(CC#C)c3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C26H17FN2O3/c1-2-14-29-16-17(9-13-23(29)31)8-12-22(30)25-24(18-6-4-3-5-7-18)20-15-19(27)10-11-21(20)28-26(25)32/h1,3-13,15-16H,14H2,(H,28,32)/b12-8+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501410
PNG
(US11026937, Compound I-5)
Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccc(OCC#N)nc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C25H16FN3O3/c26-18-8-9-20-19(14-18)23(17-4-2-1-3-5-17)24(25(31)29-20)21(30)10-6-16-7-11-22(28-15-16)32-13-12-27/h1-11,14-15H,13H2,(H,29,31)/b10-6+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501409
PNG
(US11026937, Compound I-4)
Show SMILES CN(C)CCOc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3cc(F)ccc3[nH]c2=O)cn1
Show InChI InChI=1S/C27H24FN3O3/c1-31(2)14-15-34-24-13-9-18(17-29-24)8-12-23(32)26-25(19-6-4-3-5-7-19)21-16-20(28)10-11-22(21)30-27(26)33/h3-13,16-17H,14-15H2,1-2H3,(H,30,33)/b12-8+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501444
PNG
(US11026937, Compound I-34)
Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccc(nc3)N3CCNCC3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C27H23FN4O2/c28-20-8-9-22-21(16-20)25(19-4-2-1-3-5-19)26(27(34)31-22)23(33)10-6-18-7-11-24(30-17-18)32-14-12-29-13-15-32/h1-11,16-17,29H,12-15H2,(H,31,34)/b10-6+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501474
PNG
(US11026937, Compound I-66)
Show SMILES FC(F)(F)c1ccc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C24H15F3N2O2/c25-24(26,27)17-9-10-19-18(13-17)21(16-6-2-1-3-7-16)22(23(31)29-19)20(30)11-8-15-5-4-12-28-14-15/h1-14H,(H,29,31)/b11-8+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501476
PNG
(US11026937, Compound I-68)
Show SMILES Brc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C23H15BrN2O2/c24-17-9-10-19-18(13-17)21(16-6-2-1-3-7-16)22(23(28)26-19)20(27)11-8-15-5-4-12-25-14-15/h1-14H,(H,26,28)/b11-8+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501484
PNG
(US11026937, Compound I-76)
Show SMILES Clc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C23H15ClN2O2/c24-17-9-10-19-18(13-17)21(16-6-2-1-3-7-16)22(23(28)26-19)20(27)11-8-15-5-4-12-25-14-15/h1-14H,(H,26,28)/b11-8+
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501414
PNG
(US11026937, Compound I-9)
Show SMILES COc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3cc(F)ccc3[nH]c2=O)cn1
Show InChI InChI=1S/C24H17FN2O3/c1-30-21-12-8-15(14-26-21)7-11-20(28)23-22(16-5-3-2-4-6-16)18-13-17(25)9-10-19(18)27-24(23)29/h2-14H,1H3,(H,27,29)/b11-7+
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501459
PNG
(US11026937, Compound I-53)
Show SMILES Fc1ccc2c(-c3ccccc3)c(C(=O)\C=C\c3cncnc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C22H14FN3O2/c23-16-7-8-17-18(10-16)26-22(28)21(20(17)15-4-2-1-3-5-15)19(27)9-6-14-11-24-13-25-12-14/h1-13H,(H,26,28)/b9-6+
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501531
PNG
(US11026937, Compound I-107)
Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C23H15FN2O2/c24-17-9-10-19-18(13-17)21(16-6-2-1-3-7-16)22(23(28)26-19)20(27)11-8-15-5-4-12-25-14-15/h1-14H,(H,26,28)/b11-8+
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501425
PNG
(US11026937, Compound I-22)
Show SMILES Fc1ccc2c(c1)C(=C(C(=O)\C=C\c1cccnc1)[C](=O)=[N]2CCC#N)c1ccccc1
Show InChI InChI=1S/C26H18FN3O2/c27-20-10-11-22-21(16-20)24(19-7-2-1-3-8-19)25(26(32)30(22)15-5-13-28)23(31)12-9-18-6-4-14-29-17-18/h1-4,6-12,14,16-17H,5,15H2/b12-9+
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501423
PNG
(US11026937, Compound I-20)
Show SMILES Fc1cccc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c12
Show InChI InChI=1S/C23H15FN2O2/c24-17-9-4-10-18-21(17)20(16-7-2-1-3-8-16)22(23(28)26-18)19(27)12-11-15-6-5-13-25-14-15/h1-14H,(H,26,28)/b12-11+
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501454
PNG
(US11026937, Compound I-49)
Show SMILES Fc1ccc2c(-c3ccccc3)c(C(=O)\C=C\c3cccnc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H15FN2O2/c24-17-9-10-18-19(13-17)26-23(28)22(21(18)16-6-2-1-3-7-16)20(27)11-8-15-5-4-12-25-14-15/h1-14H,(H,26,28)/b11-8+
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501488
PNG
(US11026937, Compound I-80)
Show SMILES Clc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C22H14ClN3O2/c23-16-7-8-18-17(10-16)20(15-4-2-1-3-5-15)21(22(28)26-18)19(27)9-6-14-11-24-13-25-12-14/h1-13H,(H,26,28)/b9-6+
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501468
PNG
(US11026937, Compound I-61)
Show SMILES Cc1ccncc1\C=C\C(=O)c1c(-c2ccccc2)c2cc(F)ccc2[nH]c1=O
Show InChI InChI=1S/C24H17FN2O2/c1-15-11-12-26-14-17(15)7-10-21(28)23-22(16-5-3-2-4-6-16)19-13-18(25)8-9-20(19)27-24(23)29/h2-14H,1H3,(H,27,29)/b10-7+
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501412
PNG
(US11026937, Compound I-7)
Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccc(nc3)C#N)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C24H14FN3O2/c25-17-8-10-20-19(12-17)22(16-4-2-1-3-5-16)23(24(30)28-20)21(29)11-7-15-6-9-18(13-26)27-14-15/h1-12,14H,(H,28,30)/b11-7+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501419
PNG
(US11026937, Compound I-14)
Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cncc(Cl)c3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C23H14ClFN2O2/c24-16-10-14(12-26-13-16)6-9-20(28)22-21(15-4-2-1-3-5-15)18-11-17(25)7-8-19(18)27-23(22)29/h1-13H,(H,27,29)/b9-6+
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501479
PNG
(US11026937, Compound I-71)
Show SMILES OCCn1c2ccccc2c(-c2ccccc2)c(C(=O)\C=C\c2cncnc2)c1=O
Show InChI InChI=1S/C24H19N3O3/c28-13-12-27-20-9-5-4-8-19(20)22(18-6-2-1-3-7-18)23(24(27)30)21(29)11-10-17-14-25-16-26-15-17/h1-11,14-16,28H,12-13H2/b11-10+
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501408
PNG
(US11026937, Compound I-3)
Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccc(=O)[nH]c3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C23H15FN2O3/c24-16-8-9-18-17(12-16)21(15-4-2-1-3-5-15)22(23(29)26-18)19(27)10-6-14-7-11-20(28)25-13-14/h1-13H,(H,25,28)(H,26,29)/b10-6+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501415
PNG
(US11026937, Compound I-10)
Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cccnn3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C22H14FN3O2/c23-15-8-10-18-17(13-15)20(14-5-2-1-3-6-14)21(22(28)25-18)19(27)11-9-16-7-4-12-24-26-16/h1-13H,(H,25,28)/b11-9+
PDB
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501418
PNG
(US11026937, Compound I-13)
Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccnnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C22H14FN3O2/c23-16-7-8-18-17(12-16)20(15-4-2-1-3-5-15)21(22(28)26-18)19(27)9-6-14-10-11-24-25-13-14/h1-13H,(H,26,28)/b9-6+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501458
PNG
(US11026937, Compound I-52)
Show SMILES Fc1ccc2c(-c3ccccc3)c(C(=O)\C=C\c3cncc(F)c3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H14F2N2O2/c24-16-7-8-18-19(11-16)27-23(29)22(21(18)15-4-2-1-3-5-15)20(28)9-6-14-10-17(25)13-26-12-14/h1-13H,(H,27,29)/b9-6+
PDB
MMDB

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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501538
PNG
(US11026937, Compound I-114)
Show SMILES O=C(\C=C\c1cccnc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H16N2O2/c26-20(13-12-16-7-6-14-24-15-16)22-21(17-8-2-1-3-9-17)18-10-4-5-11-19(18)25-23(22)27/h1-15H,(H,25,27)/b13-12+
PDB
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501558
PNG
(US11026937, Compound I-131)
Show SMILES Cc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccc(cc3)C#N)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C26H18N2O2/c1-17-7-13-22-21(15-17)24(20-5-3-2-4-6-20)25(26(30)28-22)23(29)14-12-18-8-10-19(16-27)11-9-18/h2-15H,1H3,(H,28,30)/b14-12+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501566
PNG
(US11026937, Compound I-137)
Show SMILES COc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3cc(C)ccc3n(C)c2=O)cc1
Show InChI InChI=1S/C27H23NO3/c1-18-9-15-23-22(17-18)25(20-7-5-4-6-8-20)26(27(30)28(23)2)24(29)16-12-19-10-13-21(31-3)14-11-19/h4-17H,1-3H3/b16-12+
PDB
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501569
PNG
(US11026937, Compound I-138)
Show SMILES Cc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccccc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C25H19NO2/c1-17-12-14-21-20(16-17)23(19-10-6-3-7-11-19)24(25(28)26-21)22(27)15-13-18-8-4-2-5-9-18/h2-16H,1H3,(H,26,28)/b15-13+
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501460
PNG
(US11026937, Compound I-54)
Show SMILES Cc1cnc2[nH]c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C22H16N4O2/c1-14-9-17-19(16-5-3-2-4-6-16)20(22(28)26-21(17)25-10-14)18(27)8-7-15-11-23-13-24-12-15/h2-13H,1H3,(H,25,26,28)/b8-7+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501470
PNG
(US11026937, Compound I-63)
Show SMILES Brc1cncc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)c1
Show InChI InChI=1S/C23H15BrN2O2/c24-17-12-15(13-25-14-17)10-11-20(27)22-21(16-6-2-1-3-7-16)18-8-4-5-9-19(18)26-23(22)28/h1-14H,(H,26,28)/b11-10+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501530
PNG
(US11026937, Compound I-106)
Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C22H14FN3O2/c23-16-7-8-18-17(10-16)20(15-4-2-1-3-5-15)21(22(28)26-18)19(27)9-6-14-11-24-13-25-12-14/h1-13H,(H,26,28)/b9-6+
PDB
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501544
PNG
(US11026937, Compound I-120)
Show SMILES Cc1nc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)c[nH]1
Show InChI InChI=1S/C22H17N3O2/c1-14-23-13-16(24-14)11-12-19(26)21-20(15-7-3-2-4-8-15)17-9-5-6-10-18(17)25-22(21)27/h2-13H,1H3,(H,23,24)(H,25,27)/b12-11+
PDB
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501546
PNG
(US11026937, Compound I-122)
Show SMILES O=C(\C=C\c1cncnc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H15N3O2/c26-19(11-10-15-12-23-14-24-13-15)21-20(16-6-2-1-3-7-16)17-8-4-5-9-18(17)25-22(21)27/h1-14H,(H,25,27)/b11-10+
PDB
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501570
PNG
(US11026937, Compound I-139)
Show SMILES COc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C25H19NO3/c1-29-19-14-11-17(12-15-19)13-16-22(27)24-23(18-7-3-2-4-8-18)20-9-5-6-10-21(20)26-25(24)28/h2-16H,1H3,(H,26,28)/b16-13+
PDB
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501411
PNG
(US11026937, Compound I-6)
Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccncn3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C22H14FN3O2/c23-15-6-8-18-17(12-15)20(14-4-2-1-3-5-14)21(22(28)26-18)19(27)9-7-16-10-11-24-13-25-16/h1-13H,(H,26,28)/b9-7+
PDB
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501416
PNG
(US11026937, Compound I-11)
Show SMILES CC(C)(O)Cn1c2ccc(F)cc2c(-c2ccccc2)c(C(=O)\C=C\c2cncnc2)c1=O
Show InChI InChI=1S/C26H22FN3O3/c1-26(2,33)15-30-21-10-9-19(27)12-20(21)23(18-6-4-3-5-7-18)24(25(30)32)22(31)11-8-17-13-28-16-29-14-17/h3-14,16,33H,15H2,1-2H3/b11-8+
PDB
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501417
PNG
(US11026937, Compound I-12)
Show SMILES CS(=O)(=O)CCn1c2ccc(F)cc2c(-c2ccccc2)c(C(=O)\C=C\c2cncnc2)c1=O
Show InChI InChI=1S/C25H20FN3O4S/c1-34(32,33)12-11-29-21-9-8-19(26)13-20(21)23(18-5-3-2-4-6-18)24(25(29)31)22(30)10-7-17-14-27-16-28-15-17/h2-10,13-16H,11-12H2,1H3/b10-7+
PDB
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501424
PNG
(US11026937, Compound I-21)
Show SMILES Fc1cccc2[nH]c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c12
Show InChI InChI=1S/C22H14FN3O2/c23-16-7-4-8-17-20(16)19(15-5-2-1-3-6-15)21(22(28)26-17)18(27)10-9-14-11-24-13-25-12-14/h1-13H,(H,26,28)/b10-9+
PDB
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501482
PNG
(US11026937, Compound I-74)
Show SMILES O=C(\C=C\c1cncnc1)c1c(-c2ccccc2)c2ccccc2n(CC#C)c1=O
Show InChI InChI=1S/C25H17N3O2/c1-2-14-28-21-11-7-6-10-20(21)23(19-8-4-3-5-9-19)24(25(28)30)22(29)13-12-18-15-26-17-27-16-18/h1,3-13,15-17H,14H2/b13-12+
PDB
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501523
PNG
(US11026937, Compound I-99)
Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccccn3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C23H15FN2O2/c24-16-9-11-19-18(14-16)21(15-6-2-1-3-7-15)22(23(28)26-19)20(27)12-10-17-8-4-5-13-25-17/h1-14H,(H,26,28)/b12-10+
PDB
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501529
PNG
(US11026937, Compound I-105)
Show SMILES Oc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C24H17NO3/c26-18-13-10-16(11-14-18)12-15-21(27)23-22(17-6-2-1-3-7-17)19-8-4-5-9-20(19)25-24(23)28/h1-15,26H,(H,25,28)/b15-12+
PDB
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501556
PNG
(US11026937, Compound I-129)
Show SMILES O=C(\C=C\c1ccccn1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H16N2O2/c26-20(14-13-17-10-6-7-15-24-17)22-21(16-8-2-1-3-9-16)18-11-4-5-12-19(18)25-23(22)27/h1-15H,(H,25,27)/b14-13+
PDB
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501557
PNG
(US11026937, Compound I-130)
Show SMILES O=C(\C=C\C1CC1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H17NO2/c23-18(13-12-14-10-11-14)20-19(15-6-2-1-3-7-15)16-8-4-5-9-17(16)22-21(20)24/h1-9,12-14H,10-11H2,(H,22,24)/b13-12+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501562
PNG
(US11026937, Compound I-135)
Show SMILES Cc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C24H18N2O2/c1-16-9-11-20-19(14-16)22(18-7-3-2-4-8-18)23(24(28)26-20)21(27)12-10-17-6-5-13-25-15-17/h2-15H,1H3,(H,26,28)/b12-10+
PDB
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501407
PNG
(US11026937, Compound I-2)
Show SMILES CN(C)CCn1c2ccc(F)cc2c(-c2ccccc2)c(C(=O)\C=C\c2cncnc2)c1=O
Show InChI InChI=1S/C26H23FN4O2/c1-30(2)12-13-31-22-10-9-20(27)14-21(22)24(19-6-4-3-5-7-19)25(26(31)33)23(32)11-8-18-15-28-17-29-16-18/h3-11,14-17H,12-13H2,1-2H3/b11-8+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501421
PNG
(US11026937, Compound I-17)
Show SMILES Fc1ccc2n(CCC#N)c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C25H17FN4O2/c26-19-8-9-21-20(13-19)23(18-5-2-1-3-6-18)24(25(32)30(21)12-4-11-27)22(31)10-7-17-14-28-16-29-15-17/h1-3,5-10,13-16H,4,12H2/b10-7+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501428
PNG
(US11026937, Compound I-28)
Show SMILES Nc1cncc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)c1
Show InChI InChI=1S/C23H17N3O2/c24-17-12-15(13-25-14-17)10-11-20(27)22-21(16-6-2-1-3-7-16)18-8-4-5-9-19(18)26-23(22)28/h1-14H,24H2,(H,26,28)/b11-10+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501446
PNG
(US11026937, Compound I-41)
Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccc(=O)n(CCN4CCOCC4)c3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C29H26FN3O4/c30-22-8-9-24-23(18-22)27(21-4-2-1-3-5-21)28(29(36)31-24)25(34)10-6-20-7-11-26(35)33(19-20)13-12-32-14-16-37-17-15-32/h1-11,18-19H,12-17H2,(H,31,36)/b10-6+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501448
PNG
(US11026937, Compound I-43)
Show SMILES OCCCOc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3cc(F)ccc3[nH]c2=O)cn1
Show InChI InChI=1S/C26H21FN2O4/c27-19-9-10-21-20(15-19)24(18-5-2-1-3-6-18)25(26(32)29-21)22(31)11-7-17-8-12-23(28-16-17)33-14-4-13-30/h1-3,5-12,15-16,30H,4,13-14H2,(H,29,32)/b11-7+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501449
PNG
(US11026937, Compound I-44)
Show SMILES Fc1cnc2[nH]c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C21H13FN4O2/c22-15-8-16-18(14-4-2-1-3-5-14)19(21(28)26-20(16)25-11-15)17(27)7-6-13-9-23-12-24-10-13/h1-12H,(H,25,26,28)/b7-6+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501451
PNG
(US11026937, Compound I-46)
Show SMILES Fc1cncc(\C=C\C(=O)c2c(-c3ccccc3)c3cc(F)cnc3[nH]c2=O)c1
Show InChI InChI=1S/C22H13F2N3O2/c23-15-8-13(10-25-11-15)6-7-18(28)20-19(14-4-2-1-3-5-14)17-9-16(24)12-26-21(17)27-22(20)29/h1-12H,(H,26,27,29)/b7-6+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501461
PNG
(US11026937, Compound I-55)
Show SMILES Cc1cnc2[nH]c(=O)c(C(=O)\C=C\c3cncc(F)c3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C23H16FN3O2/c1-14-9-18-20(16-5-3-2-4-6-16)21(23(29)27-22(18)26-11-14)19(28)8-7-15-10-17(24)13-25-12-15/h2-13H,1H3,(H,26,27,29)/b8-7+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501462
PNG
(US11026937, Compound I-56)
Show SMILES O=C(\C=C\c1ccc(OCCC2CCOCC2)nc1)c1c(-c2ccccc2)c2ccncc2[nH]c1=O
Show InChI InChI=1S/C29H27N3O4/c33-25(8-6-21-7-9-26(31-18-21)36-17-13-20-11-15-35-16-12-20)28-27(22-4-2-1-3-5-22)23-10-14-30-19-24(23)32-29(28)34/h1-10,14,18-20H,11-13,15-17H2,(H,32,34)/b8-6+
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501475
PNG
(US11026937, Compound I-67)
Show SMILES Fc1cncc(\C=C\C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1
Show InChI InChI=1S/C23H14ClFN2O2/c24-16-7-8-19-18(11-16)21(15-4-2-1-3-5-15)22(23(29)27-19)20(28)9-6-14-10-17(25)13-26-12-14/h1-13H,(H,27,29)/b9-6+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501478
PNG
(US11026937, Compound I-70)
Show SMILES FC(F)(F)c1ccc2[nH]c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C23H14F3N3O2/c24-23(25,26)16-7-8-18-17(10-16)20(15-4-2-1-3-5-15)21(22(31)29-18)19(30)9-6-14-11-27-13-28-12-14/h1-13H,(H,29,31)/b9-6+
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501481
PNG
(US11026937, Compound I-73)
Show SMILES Fc1ccccc1-c1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C22H14FN3O2/c23-17-7-3-1-5-15(17)20-16-6-2-4-8-18(16)26-22(28)21(20)19(27)10-9-14-11-24-13-25-12-14/h1-13H,(H,26,28)/b10-9+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501528
PNG
(US11026937, Compound I-104)
Show SMILES Fc1ccc(cc1)-c1c(C(=O)\C=C\c2cccnc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C23H15FN2O2/c24-17-10-8-16(9-11-17)21-18-5-1-2-6-19(18)26-23(28)22(21)20(27)12-7-15-4-3-13-25-14-15/h1-14H,(H,26,28)/b12-7+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501540
PNG
(US11026937, Compound I-116)
Show SMILES CS(=O)(=O)Nc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C25H20N2O4S/c1-32(30,31)27-19-14-11-17(12-15-19)13-16-22(28)24-23(18-7-3-2-4-8-18)20-9-5-6-10-21(20)26-25(24)29/h2-16,27H,1H3,(H,26,29)/b16-13+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501422
PNG
(US11026937, Compound I-19)
Show SMILES Fc1ccc2n(CCN3CCOCC3)c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C28H25FN4O3/c29-22-7-8-24-23(16-22)26(21-4-2-1-3-5-21)27(25(34)9-6-20-17-30-19-31-18-20)28(35)33(24)11-10-32-12-14-36-15-13-32/h1-9,16-19H,10-15H2/b9-6+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501477
PNG
(US11026937, Compound I-69)
Show SMILES Clc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccccn3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C23H15ClN2O2/c24-16-9-11-19-18(14-16)21(15-6-2-1-3-7-15)22(23(28)26-19)20(27)12-10-17-8-4-5-13-25-17/h1-14H,(H,26,28)/b12-10+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501547
PNG
(US11026937, Compound I-123)
Show SMILES O=C(\C=C\c1ccc(=O)[nH]c1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H16N2O3/c26-19(12-10-15-11-13-20(27)24-14-15)22-21(16-6-2-1-3-7-16)17-8-4-5-9-18(17)25-23(22)28/h1-14H,(H,24,27)(H,25,28)/b12-10+
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501549
PNG
(US11026937, Compound I-125)
Show SMILES Cc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)cn1
Show InChI InChI=1S/C24H18N2O2/c1-16-11-12-17(15-25-16)13-14-21(27)23-22(18-7-3-2-4-8-18)19-9-5-6-10-20(19)26-24(23)28/h2-15H,1H3,(H,26,28)/b14-13+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501450
PNG
(US11026937, Compound I-45)
Show SMILES Fc1cnc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C22H14FN3O2/c23-16-11-17-19(15-6-2-1-3-7-15)20(22(28)26-21(17)25-13-16)18(27)9-8-14-5-4-10-24-12-14/h1-13H,(H,25,26,28)/b9-8+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501473
PNG
(US11026937, Compound I-65)
Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cncc(F)c3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C23H14F2N2O2/c24-16-7-8-19-18(11-16)21(15-4-2-1-3-5-15)22(23(29)27-19)20(28)9-6-14-10-17(25)13-26-12-14/h1-13H,(H,27,29)/b9-6+
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501509
PNG
(US11026937, Compound I-86)
Show SMILES Cn1c2ccccc2c(-c2ccccc2)c(C(=O)\C=C\c2cncnc2)c1=O
Show InChI InChI=1S/C23H17N3O2/c1-26-19-10-6-5-9-18(19)21(17-7-3-2-4-8-17)22(23(26)28)20(27)12-11-16-13-24-15-25-14-16/h2-15H,1H3/b12-11+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501413
PNG
(US11026937, Compound I-8)
Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cncc(c3)C#N)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C24H14FN3O2/c25-18-7-8-20-19(11-18)22(17-4-2-1-3-5-17)23(24(30)28-20)21(29)9-6-15-10-16(12-26)14-27-13-15/h1-11,13-14H,(H,28,30)/b9-6+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501420
PNG
(US11026937, Compound I-15)
Show SMILES COc1ccncc1\C=C\C(=O)c1c(-c2ccccc2)c2cc(F)ccc2[nH]c1=O
Show InChI InChI=1S/C24H17FN2O3/c1-30-21-11-12-26-14-16(21)7-10-20(28)23-22(15-5-3-2-4-6-15)18-13-17(25)8-9-19(18)27-24(23)29/h2-14H,1H3,(H,27,29)/b10-7+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501452
PNG
(US11026937, Compound I-47)
Show SMILES Cc1cnc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C23H17N3O2/c1-15-12-18-20(17-7-3-2-4-8-17)21(23(28)26-22(18)25-13-15)19(27)10-9-16-6-5-11-24-14-16/h2-14H,1H3,(H,25,26,28)/b10-9+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501453
PNG
(US11026937, Compound I-48)
Show SMILES Fc1cccc2c(-c3ccccc3)c(C(=O)\C=C\c3cccnc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H15FN2O2/c24-18-10-4-9-17-20(16-7-2-1-3-8-16)21(23(28)26-22(17)18)19(27)12-11-15-6-5-13-25-14-15/h1-14H,(H,26,28)/b12-11+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501456
PNG
(US11026937, Compound I-50)
Show SMILES Fc1cccc2c(-c3ccccc3)c(C(=O)\C=C\c3cncnc3)c(=O)[nH]c12
Show InChI InChI=1S/C22H14FN3O2/c23-17-8-4-7-16-19(15-5-2-1-3-6-15)20(22(28)26-21(16)17)18(27)10-9-14-11-24-13-25-12-14/h1-13H,(H,26,28)/b10-9+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501464
PNG
(US11026937, Compound I-58)
Show SMILES Fc1ccc2n(CCN3CCOCC3)c(=O)c(C(=O)\C=C\c3cncc(c3)C#N)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C30H25FN4O3/c31-24-7-8-26-25(17-24)28(23-4-2-1-3-5-23)29(27(36)9-6-21-16-22(18-32)20-33-19-21)30(37)35(26)11-10-34-12-14-38-15-13-34/h1-9,16-17,19-20H,10-15H2/b9-6+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501472
PNG
(US11026937, Compound I-64)
Show SMILES Brc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C22H14BrN3O2/c23-16-7-8-18-17(10-16)20(15-4-2-1-3-5-15)21(22(28)26-18)19(27)9-6-14-11-24-13-25-12-14/h1-13H,(H,26,28)/b9-6+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501525
PNG
(US11026937, Compound I-101)
Show SMILES COc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3n(CCOCCOCC#C)c2=O)cc1
Show InChI InChI=1S/C32H29NO5/c1-3-20-37-22-23-38-21-19-33-28-12-8-7-11-27(28)30(25-9-5-4-6-10-25)31(32(33)35)29(34)18-15-24-13-16-26(36-2)17-14-24/h1,4-18H,19-23H2,2H3/b18-15+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501552
PNG
(US11026937, Compound I-128)
Show SMILES O=C(\C=C\c1c[nH]cn1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H15N3O2/c25-18(11-10-15-12-22-13-23-15)20-19(14-6-2-1-3-7-14)16-8-4-5-9-17(16)24-21(20)26/h1-13H,(H,22,23)(H,24,26)/b11-10+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501545
PNG
(US11026937, Compound I-121)
Show SMILES O=C(\C=C\c1cnccn1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H15N3O2/c26-19(11-10-16-14-23-12-13-24-16)21-20(15-6-2-1-3-7-15)17-8-4-5-9-18(17)25-22(21)27/h1-14H,(H,25,27)/b11-10+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501516
PNG
(US11026937, Compound I-92)
Show SMILES Cc1cccc(c1)-c1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C23H17N3O2/c1-15-5-4-6-17(11-15)21-18-7-2-3-8-19(18)26-23(28)22(21)20(27)10-9-16-12-24-14-25-13-16/h2-14H,1H3,(H,26,28)/b10-9+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501508
PNG
(US11026937, Compound I-85)
Show SMILES O=C(\C=C\c1cncnc1)c1c(-c2ccccc2)c2ccccc2n(CCC#N)c1=O
Show InChI InChI=1S/C25H18N4O2/c26-13-6-14-29-21-10-5-4-9-20(21)23(19-7-2-1-3-8-19)24(25(29)31)22(30)12-11-18-15-27-17-28-16-18/h1-5,7-12,15-17H,6,14H2/b12-11+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501483
PNG
(US11026937, Compound I-75)
Show SMILES CSc1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C17H13N3O2S/c1-23-16-12-4-2-3-5-13(12)20-17(22)15(16)14(21)7-6-11-8-18-10-19-9-11/h2-10H,1H3,(H,20,22)/b7-6+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501524
PNG
(US11026937, Compound I-100)
Show SMILES COc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3n(CCOCCOCCOCC#C)c2=O)cc1
Show InChI InChI=1S/C34H33NO6/c1-3-20-39-22-24-41-25-23-40-21-19-35-30-12-8-7-11-29(30)32(27-9-5-4-6-10-27)33(34(35)37)31(36)18-15-26-13-16-28(38-2)17-14-26/h1,4-18H,19-25H2,2H3/b18-15+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501580
PNG
(US11026937, Compound I-148)
Show SMILES COc1ccc(\C=C\C(=O)c2c(cc[nH]c2=O)-c2ccccc2)cc1
Show InChI InChI=1S/C21H17NO3/c1-25-17-10-7-15(8-11-17)9-12-19(23)20-18(13-14-22-21(20)24)16-5-3-2-4-6-16/h2-14H,1H3,(H,22,24)/b12-9+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501535
PNG
(US11026937, Compound I-111)
Show SMILES COc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3n(C)c2=O)cc1
Show InChI InChI=1S/C26H21NO3/c1-27-22-11-7-6-10-21(22)24(19-8-4-3-5-9-19)25(26(27)29)23(28)17-14-18-12-15-20(30-2)16-13-18/h3-17H,1-2H3/b17-14+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501561
PNG
(US11026937, Compound I-134)
Show SMILES O=C(\C=C\c1cccnc1)c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C17H12N2O2/c20-16(8-7-12-4-3-9-18-11-12)14-10-13-5-1-2-6-15(13)19-17(14)21/h1-11H,(H,19,21)/b8-7+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501579
PNG
(US11026937, Compound I-147)
Show SMILES O=C(\C=C\c1ccccn1)c1cnc2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C23H16N2O/c26-22(14-13-18-10-6-7-15-24-18)20-16-25-21-12-5-4-11-19(21)23(20)17-8-2-1-3-9-17/h1-16H/b14-13+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501469
PNG
(US11026937, Compound I-62)
Show SMILES Fc1ccc2[nH]c(=O)c(c(-c3ccccc3)c2c1)S(=O)(=O)\C=C\c1cncnc1
Show InChI InChI=1S/C21H14FN3O3S/c22-16-6-7-18-17(10-16)19(15-4-2-1-3-5-15)20(21(26)25-18)29(27,28)9-8-14-11-23-13-24-12-14/h1-13H,(H,25,26)/b9-8+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501511
PNG
(US11026937, Compound I-88)
Show SMILES Fc1cccc(c1)-c1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C22H14FN3O2/c23-16-5-3-4-15(10-16)20-17-6-1-2-7-18(17)26-22(28)21(20)19(27)9-8-14-11-24-13-25-12-14/h1-13H,(H,26,28)/b9-8+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501517
PNG
(US11026937, Compound I-93)
Show SMILES O=C(\C=C\c1cncnc1)c1c(N2CCCCC2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H20N4O2/c26-18(9-8-15-12-22-14-23-13-15)19-20(25-10-4-1-5-11-25)16-6-2-3-7-17(16)24-21(19)27/h2-3,6-9,12-14H,1,4-5,10-11H2,(H,24,27)/b9-8+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501522
PNG
(US11026937, Compound I-98)
Show SMILES COc1ccc(cc1)-c1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C23H17N3O3/c1-29-17-9-7-16(8-10-17)21-18-4-2-3-5-19(18)26-23(28)22(21)20(27)11-6-15-12-24-14-25-13-15/h2-14H,1H3,(H,26,28)/b11-6+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501526
PNG
(US11026937, Compound I-102)
Show SMILES Fc1ccc(cc1)-c1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C22H14FN3O2/c23-16-8-6-15(7-9-16)20-17-3-1-2-4-18(17)26-22(28)21(20)19(27)10-5-14-11-24-13-25-12-14/h1-13H,(H,26,28)/b10-5+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501534
PNG
(US11026937, Compound I-110)
Show SMILES O=C(\C=C\c1ccc(OCCOCCOCCOCC#N)cc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C32H30N2O6/c33-16-17-37-18-19-38-20-21-39-22-23-40-26-13-10-24(11-14-26)12-15-29(35)31-30(25-6-2-1-3-7-25)27-8-4-5-9-28(27)34-32(31)36/h1-15H,17-23H2,(H,34,36)/b15-12+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501541
PNG
(US11026937, Compound I-117)
Show SMILES Cc1ccc2[nH]c(=O)c(C(=O)C(=C\c3cccnc3)\C#N)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C25H17N3O2/c1-16-9-10-21-20(12-16)22(18-7-3-2-4-8-18)23(25(30)28-21)24(29)19(14-26)13-17-6-5-11-27-15-17/h2-13,15H,1H3,(H,28,30)/b19-13+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501463
PNG
(US11026937, Compound I-57)
Show SMILES O=C(\C=C\c1ccc(OCCN2CCOCC2)cc1)c1c(-c2ccccc2)c2ccncc2[nH]c1=O
Show InChI InChI=1S/C29H27N3O4/c33-26(11-8-21-6-9-23(10-7-21)36-19-16-32-14-17-35-18-15-32)28-27(22-4-2-1-3-5-22)24-12-13-30-20-25(24)31-29(28)34/h1-13,20H,14-19H2,(H,31,34)/b11-8+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501465
PNG
(US11026937, Compound I-59)
Show SMILES Fc1ccc2[nH]c(=O)c(NC(=O)\C=C\c3ccccc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C24H17FN2O2/c25-18-12-13-20-19(15-18)22(17-9-5-2-6-10-17)23(24(29)26-20)27-21(28)14-11-16-7-3-1-4-8-16/h1-15H,(H,26,29)(H,27,28)/b14-11+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501487
PNG
(US11026937, Compound I-79)
Show SMILES CCn1c2ccccc2c(-c2ccccc2)c(C(=O)\C=C\c2cncnc2)c1=O
Show InChI InChI=1S/C24H19N3O2/c1-2-27-20-11-7-6-10-19(20)22(18-8-4-3-5-9-18)23(24(27)29)21(28)13-12-17-14-25-16-26-15-17/h3-16H,2H2,1H3/b13-12+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501507
PNG
(US11026937, Compound I-84)
Show SMILES Cc1ncc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)cn1
Show InChI InChI=1S/C23H17N3O2/c1-15-24-13-16(14-25-15)11-12-20(27)22-21(17-7-3-2-4-8-17)18-9-5-6-10-19(18)26-23(22)28/h2-14H,1H3,(H,26,28)/b12-11+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501510
PNG
(US11026937, Compound I-87)
Show SMILES O=C(\C=C\c1cncnc1)c1c(-c2ccccc2)c2ccncc2[nH]c1=O
Show InChI InChI=1S/C21H14N4O2/c26-18(7-6-14-10-23-13-24-11-14)20-19(15-4-2-1-3-5-15)16-8-9-22-12-17(16)25-21(20)27/h1-13H,(H,25,27)/b7-6+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501520
PNG
(US11026937, Compound I-96)
Show SMILES Cc1ccc(cc1)-c1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C23H17N3O2/c1-15-6-9-17(10-7-15)21-18-4-2-3-5-19(18)26-23(28)22(21)20(27)11-8-16-12-24-14-25-13-16/h2-14H,1H3,(H,26,28)/b11-8+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501560
PNG
(US11026937, Compound I-133)
Show SMILES Cc1ccc2[nH]c(=O)c(C(=O)C=C)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C19H15NO2/c1-3-16(21)18-17(13-7-5-4-6-8-13)14-11-12(2)9-10-15(14)20-19(18)22/h3-11H,1H2,2H3,(H,20,22)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501577
PNG
(US11026937, Compound I-145)
Show SMILES COc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C24H18N2O2/c1-28-24-23(21(27)15-14-18-11-7-8-16-25-18)22(17-9-3-2-4-10-17)19-12-5-6-13-20(19)26-24/h2-16H,1H3/b15-14+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501427
PNG
(US11026937, Compound I-27)
Show SMILES Brc1cncc(c1)-c1[nH]nnc1C(=O)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H14BrN5O2/c24-15-10-14(11-25-12-15)20-21(28-29-27-20)22(30)19-18(13-6-2-1-3-7-13)16-8-4-5-9-17(16)26-23(19)31/h1-12H,(H,26,31)(H,27,28,29)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501440
PNG
(US11026937, Compound I-29)
Show SMILES Fc1ccc2[nH]c(=O)c(C(=O)\C=C\C3CC3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C21H16FNO2/c22-15-9-10-17-16(12-15)19(14-4-2-1-3-5-14)20(21(25)23-17)18(24)11-8-13-6-7-13/h1-5,8-13H,6-7H2,(H,23,25)/b11-8+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501445
PNG
(US11026937, Compound I-40)
Show SMILES C\C=C\C(=O)Nc1c(-c2ccccc2)c2cc(F)ccc2[nH]c1=O
Show InChI InChI=1S/C19H15FN2O2/c1-2-6-16(23)22-18-17(12-7-4-3-5-8-12)14-11-13(20)9-10-15(14)21-19(18)24/h2-11H,1H3,(H,21,24)(H,22,23)/b6-2+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501447
PNG
(US11026937, Compound I-42)
Show SMILES Fc1ccc2[nH]c(=O)c(NC(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C23H16FN3O2/c24-17-9-10-19-18(13-17)21(16-6-2-1-3-7-16)22(23(29)26-19)27-20(28)11-8-15-5-4-12-25-14-15/h1-14H,(H,26,29)(H,27,28)/b11-8+
PDB
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501457
PNG
(US11026937, Compound I-51)
Show SMILES Fc1cncc(\C=C\C(=O)c2c(-c3ccccc3)c3cccc(F)c3[nH]c2=O)c1
Show InChI InChI=1S/C23H14F2N2O2/c24-16-11-14(12-26-13-16)9-10-19(28)21-20(15-5-2-1-3-6-15)17-7-4-8-18(25)22(17)27-23(21)29/h1-13H,(H,27,29)/b10-9+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501486
PNG
(US11026937, Compound I-78)
Show SMILES Cn1c(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)nc2ccccc12
Show InChI InChI=1S/C26H19N3O2/c1-29-21-14-8-7-13-20(21)27-23(29)16-15-22(30)25-24(17-9-3-2-4-10-17)18-11-5-6-12-19(18)28-26(25)31/h2-16H,1H3,(H,28,31)/b16-15+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501543
PNG
(US11026937, Compound I-119)
Show SMILES Cn1c2ccccc2c(-c2ccccc2)c(C(=O)\C=C\c2ccccn2)c1=O
Show InChI InChI=1S/C24H18N2O2/c1-26-20-13-6-5-12-19(20)22(17-9-3-2-4-10-17)23(24(26)28)21(27)15-14-18-11-7-8-16-25-18/h2-16H,1H3/b15-14+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501563
PNG
(US11026937, Compound I-136)
Show SMILES COc1ccc(\C=C\C(=O)c2cc3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C19H15NO3/c1-23-15-9-6-13(7-10-15)8-11-18(21)16-12-14-4-2-3-5-17(14)20-19(16)22/h2-12H,1H3,(H,20,22)/b11-8+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501571
PNG
(US11026937, Compound I-140)
Show SMILES OCCOc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1cncnc1
Show InChI InChI=1S/C24H19N3O3/c28-12-13-30-24-23(21(29)11-10-17-14-25-16-26-15-17)22(18-6-2-1-3-7-18)19-8-4-5-9-20(19)27-24/h1-11,14-16,28H,12-13H2/b11-10+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501572
PNG
(US11026937, Compound I-141)
Show SMILES O=C(\C=C\c1cncnc1)c1c(OCC#C)nc2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C25H17N3O2/c1-2-14-30-25-24(22(29)13-12-18-15-26-17-27-16-18)23(19-8-4-3-5-9-19)20-10-6-7-11-21(20)28-25/h1,3-13,15-17H,14H2/b13-12+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501575
PNG
(US11026937, Compound I-143)
Show SMILES CCOc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1cncnc1
Show InChI InChI=1S/C24H19N3O2/c1-2-29-24-23(21(28)13-12-17-14-25-16-26-15-17)22(18-8-4-3-5-9-18)19-10-6-7-11-20(19)27-24/h3-16H,2H2,1H3/b13-12+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501576
PNG
(US11026937, Compound I-144)
Show SMILES COCCOc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1cncnc1
Show InChI InChI=1S/C25H21N3O3/c1-30-13-14-31-25-24(22(29)12-11-18-15-26-17-27-16-18)23(19-7-3-2-4-8-19)20-9-5-6-10-21(20)28-25/h2-12,15-17H,13-14H2,1H3/b12-11+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501485
PNG
(US11026937, Compound I-77)
Show SMILES O=C(\C=C\c1cncnc1)c1c(-c2ccccc2)c2ccccc2n(CC2CC2)c1=O
Show InChI InChI=1S/C26H21N3O2/c30-23(13-12-19-14-27-17-28-15-19)25-24(20-6-2-1-3-7-20)21-8-4-5-9-22(21)29(26(25)31)16-18-10-11-18/h1-9,12-15,17-18H,10-11,16H2/b13-12+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501506
PNG
(US11026937, Compound I-83)
Show SMILES O=C(\C=C\c1cncnc1)c1c(-c2ccccc2)c2ccccc2n(C2CC2)c1=O
Show InChI InChI=1S/C25H19N3O2/c29-22(13-10-17-14-26-16-27-15-17)24-23(18-6-2-1-3-7-18)20-8-4-5-9-21(20)28(25(24)30)19-11-12-19/h1-10,13-16,19H,11-12H2/b13-10+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501518
PNG
(US11026937, Compound I-94)
Show SMILES O=C(\C=C\c1cncnc1)c1c(-c2ccccc2)c2cccnc2[nH]c1=O
Show InChI InChI=1S/C21H14N4O2/c26-17(9-8-14-11-22-13-23-12-14)19-18(15-5-2-1-3-6-15)16-7-4-10-24-20(16)25-21(19)27/h1-13H,(H,24,25,27)/b9-8+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501521
PNG
(US11026937, Compound I-97)
Show SMILES Clc1cccc(c1)-c1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C22H14ClN3O2/c23-16-5-3-4-15(10-16)20-17-6-1-2-7-18(17)26-22(28)21(20)19(27)9-8-14-11-24-13-25-12-14/h1-13H,(H,26,28)/b9-8+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501536
PNG
(US11026937, Compound I-112)
Show SMILES O=C(\C=C\c1ncccn1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H15N3O2/c26-18(11-12-19-23-13-6-14-24-19)21-20(15-7-2-1-3-8-15)16-9-4-5-10-17(16)25-22(21)27/h1-14H,(H,25,27)/b12-11+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501542
PNG
(US11026937, Compound I-118)
Show SMILES Cn1c2ccccc2c(-c2ccccc2)c(C(=O)\C=C\C2CC2)c1=O
Show InChI InChI=1S/C22H19NO2/c1-23-18-10-6-5-9-17(18)20(16-7-3-2-4-8-16)21(22(23)25)19(24)14-13-15-11-12-15/h2-10,13-15H,11-12H2,1H3/b14-13+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501559
PNG
(US11026937, Compound I-132)
Show SMILES COc1ccc(\C=C\C(=O)c2c(C)c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C20H17NO3/c1-13-16-5-3-4-6-17(16)21-20(23)19(13)18(22)12-9-14-7-10-15(24-2)11-8-14/h3-12H,1-2H3,(H,21,23)/b12-9+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501574
PNG
(US11026937, Compound I-142)
Show SMILES C=CCOc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1cncnc1
Show InChI InChI=1S/C25H19N3O2/c1-2-14-30-25-24(22(29)13-12-18-15-26-17-27-16-18)23(19-8-4-3-5-9-19)20-10-6-7-11-21(20)28-25/h2-13,15-17H,1,14H2/b13-12+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501578
PNG
(US11026937, Compound I-146)
Show SMILES COc1ccc(\C=C\C(=O)c2c(OC)nc3ccccc3c2-c2ccccc2)cc1
Show InChI InChI=1S/C26H21NO3/c1-29-20-15-12-18(13-16-20)14-17-23(28)25-24(19-8-4-3-5-9-19)21-10-6-7-11-22(21)27-26(25)30-2/h3-17H,1-2H3/b17-14+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501490
PNG
(US11026937, Compound I-82)
Show SMILES Cn1c2ccccc2c(-c2ccccc2)c(C(=O)\C=C\c2nc3ccccc3[nH]2)c1=O
Show InChI InChI=1S/C26H19N3O2/c1-29-21-14-8-5-11-18(21)24(17-9-3-2-4-10-17)25(26(29)31)22(30)15-16-23-27-19-12-6-7-13-20(19)28-23/h2-16H,1H3,(H,27,28)/b16-15+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501513
PNG
(US11026937, Compound I-89)
Show SMILES COc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C23H17N3O3/c1-29-17-8-9-19-18(11-17)21(16-5-3-2-4-6-16)22(23(28)26-19)20(27)10-7-15-12-24-14-25-13-15/h2-14H,1H3,(H,26,28)/b10-7+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501515
PNG
(US11026937, Compound I-91)
Show SMILES Cc1ccccc1-c1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C23H17N3O2/c1-15-6-2-3-7-17(15)21-18-8-4-5-9-19(18)26-23(28)22(21)20(27)11-10-16-12-24-14-25-13-16/h2-14H,1H3,(H,26,28)/b11-10+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM50540086
PNG
(CHEMBL4646965 | US11026937, Compound I-103)
Show SMILES O=C(\C=C\c1nc2ccccc2[nH]1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H17N3O2/c29-21(14-15-22-26-19-12-6-7-13-20(19)27-22)24-23(16-8-2-1-3-9-16)17-10-4-5-11-18(17)28-25(24)30/h1-15H,(H,26,27)(H,28,30)/b15-14+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501537
PNG
(US11026937, Compound I-113)
Show SMILES O=C(\C=C\C1CCC1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H19NO2/c24-19(14-13-15-7-6-8-15)21-20(16-9-2-1-3-10-16)17-11-4-5-12-18(17)23-22(21)25/h1-5,9-15H,6-8H2,(H,23,25)/b14-13+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501539
PNG
(US11026937, Compound I-115)
Show SMILES C\C(=C/C(=O)c1c(-c2ccccc2)c2ccccc2[nH]c1=O)c1ccccn1
Show InChI InChI=1S/C24H18N2O2/c1-16(19-12-7-8-14-25-19)15-21(27)23-22(17-9-3-2-4-10-17)18-11-5-6-13-20(18)26-24(23)28/h2-15H,1H3,(H,26,28)/b16-15+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501550
PNG
(US11026937, Compound I-126)
Show SMILES O=C(\C=C\C1CCCC1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H21NO2/c25-20(15-14-16-8-4-5-9-16)22-21(17-10-2-1-3-11-17)18-12-6-7-13-19(18)24-23(22)26/h1-3,6-7,10-16H,4-5,8-9H2,(H,24,26)/b15-14+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501551
PNG
(US11026937, Compound I-127)
Show SMILES O=C(\C=C\C1CCCCC1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C24H23NO2/c26-21(16-15-17-9-3-1-4-10-17)23-22(18-11-5-2-6-12-18)19-13-7-8-14-20(19)25-24(23)27/h2,5-8,11-17H,1,3-4,9-10H2,(H,25,27)/b16-15+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501581
PNG
(US11026937, Compound I-150)
Show SMILES O=C(\C=C\c1cccnc1)c1c(cc[nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C19H14N2O2/c22-17(9-8-14-5-4-11-20-13-14)18-16(10-12-21-19(18)23)15-6-2-1-3-7-15/h1-13H,(H,21,23)/b9-8+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501489
PNG
(US11026937, Compound I-81)
Show SMILES COCCn1c2ccccc2c(-c2ccccc2)c(C(=O)\C=C\c2cncnc2)c1=O
Show InChI InChI=1S/C25H21N3O3/c1-31-14-13-28-21-10-6-5-9-20(21)23(19-7-3-2-4-8-19)24(25(28)30)22(29)12-11-18-15-26-17-27-16-18/h2-12,15-17H,13-14H2,1H3/b12-11+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501582
PNG
(US11026937, Compound I-151)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc[nH]c2=O)cc1
Show InChI InChI=1S/C15H13NO3/c1-19-12-7-4-11(5-8-12)6-9-14(17)13-3-2-10-16-15(13)18/h2-10H,1H3,(H,16,18)/b9-6+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501548
PNG
(US11026937, Compound I-124)
Show SMILES O=C(\C=C\c1cccnc1)c1c(-c2ccccn2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H15N3O2/c26-19(11-10-15-6-5-12-23-14-15)21-20(18-9-3-4-13-24-18)16-7-1-2-8-17(16)25-22(21)27/h1-14H,(H,25,27)/b11-10+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501514
PNG
(US11026937, Compound I-90)
Show SMILES O=C(\C=C\c1cncnc1)c1c(-c2ccccc2)c2cnccc2[nH]c1=O
Show InChI InChI=1S/C21H14N4O2/c26-18(7-6-14-10-23-13-24-11-14)20-19(15-4-2-1-3-5-15)16-12-22-9-8-17(16)25-21(20)27/h1-13H,(H,25,27)/b7-6+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501533
PNG
(US11026937, Compound I-109)
Show SMILES O=C(\C=C\c1ccc(OCCOCCOCC#C)cc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C31H27NO5/c1-2-18-35-19-20-36-21-22-37-25-15-12-23(13-16-25)14-17-28(33)30-29(24-8-4-3-5-9-24)26-10-6-7-11-27(26)32-31(30)34/h1,3-17H,18-22H2,(H,32,34)/b17-14+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501532
PNG
(US11026937, Compound I-108)
Show SMILES Fc1ccc(cc1)-c1c(C(=O)\C=C\c2ccccn2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C23H15FN2O2/c24-16-10-8-15(9-11-16)21-18-6-1-2-7-19(18)26-23(28)22(21)20(27)13-12-17-5-3-4-14-25-17/h1-14H,(H,26,28)/b13-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501480
PNG
(US11026937, Compound I-72)
Show SMILES Cn1c(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3n(C)c2=O)nc2ccccc12
Show InChI InChI=1S/C27H21N3O2/c1-29-22-15-9-7-13-20(22)28-24(29)17-16-23(31)26-25(18-10-4-3-5-11-18)19-12-6-8-14-21(19)30(2)27(26)32/h3-17H,1-2H3/b17-16+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM501519
PNG
(US11026937, Compound I-95)
Show SMILES O=C(\C=C\c1cncnc1)c1c(-c2cccnc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H14N4O2/c26-18(8-7-14-10-23-13-24-11-14)20-19(15-4-3-9-22-12-15)16-5-1-2-6-17(16)25-21(20)27/h1-13H,(H,25,27)/b8-7+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 μM (8-fold sub-Km) su...


US Patent US11026937 (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%