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Patent code US10703741

Compile Data Set for Download or QSAR
Found 26 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))
BDBM449872
PNG
(US10703741, Compound I-15)
Show SMILES COc1cc(cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2C[C@H](OC(=O)C=C)[C@@H]1[C@@H]2N
Show InChI InChI=1S/C30H32N6O4/c1-4-24(37)40-23-13-19-15-36(27(23)25(19)31)30(38)18-10-20-26(22(12-18)39-3)34(2)29(33-20)21-11-17-6-5-9-32-28(17)35(21)14-16-7-8-16/h4-6,9-12,16,19,23,25,27H,1,7-8,13-15,31H2,2-3H3/t19-,23+,25-,27-/m1/s1
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n/an/a 550n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Mus musculus)
BDBM449861
PNG
(US10703741, Compound I-4 | US10703741, Compound I-...)
Show SMILES CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C30H36N8O2/c1-36(2)13-5-7-27(39)33-23-16-31-17-24(23)35-30(40)21-10-11-25-22(14-21)34-29(37(25)3)26-15-20-6-4-12-32-28(20)38(26)18-19-8-9-19/h4-7,10-12,14-15,19,23-24,31H,8-9,13,16-18H2,1-3H3,(H,33,39)(H,35,40)/b7-5+/t23-,24-/m1/s1
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n/an/a 550n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Mus musculus)
BDBM449871
PNG
(US10703741, Compound I-14)
Show SMILES COc1cc(cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2C[C@H](NC(=O)C=C)[C@@H]1[C@@H]2N
Show InChI InChI=1S/C30H33N7O3/c1-4-24(38)33-21-11-19-15-37(27(21)25(19)31)30(39)18-10-20-26(23(13-18)40-3)35(2)29(34-20)22-12-17-6-5-9-32-28(17)36(22)14-16-7-8-16/h4-6,9-10,12-13,16,19,21,25,27H,1,7-8,11,14-15,31H2,2-3H3,(H,33,38)/t19-,21+,25-,27-/m1/s1
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n/an/a 550n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Homo sapiens (Human))
BDBM449859
PNG
(US10703741, Compound I-2)
Show SMILES COc1cc(cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c12)C(=O)N[C@@H]1CNC[C@H]1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C32H39N7O3/c1-37(2)13-7-10-29(40)34-24-17-33-18-25(24)36-32(41)22-14-23-30(28(16-22)42-4)38(3)31(35-23)27-15-21-8-5-6-9-26(21)39(27)19-20-11-12-20/h5-10,14-16,20,24-25,33H,11-13,17-19H2,1-4H3,(H,34,40)(H,36,41)/b10-7+/t24-,25-/m1/s1
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n/an/a 550n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Mus musculus)
BDBM449859
PNG
(US10703741, Compound I-2)
Show SMILES COc1cc(cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c12)C(=O)N[C@@H]1CNC[C@H]1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C32H39N7O3/c1-37(2)13-7-10-29(40)34-24-17-33-18-25(24)36-32(41)22-14-23-30(28(16-22)42-4)38(3)31(35-23)27-15-21-8-5-6-9-26(21)39(27)19-20-11-12-20/h5-10,14-16,20,24-25,33H,11-13,17-19H2,1-4H3,(H,34,40)(H,36,41)/b10-7+/t24-,25-/m1/s1
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Mus musculus)
BDBM449862
PNG
(US10703741, Compound I-5)
Show SMILES CN(C)C\C=C\C(=O)N[C@H]1CNC[C@@H]1NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C30H36N8O2/c1-36(2)13-5-7-27(39)33-23-16-31-17-24(23)35-30(40)21-10-11-25-22(14-21)34-29(37(25)3)26-15-20-6-4-12-32-28(20)38(26)18-19-8-9-19/h4-7,10-12,14-15,19,23-24,31H,8-9,13,16-18H2,1-3H3,(H,33,39)(H,35,40)/b7-5+/t23-,24-/m0/s1
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Homo sapiens (Human))
BDBM449871
PNG
(US10703741, Compound I-14)
Show SMILES COc1cc(cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2C[C@H](NC(=O)C=C)[C@@H]1[C@@H]2N
Show InChI InChI=1S/C30H33N7O3/c1-4-24(38)33-21-11-19-15-37(27(21)25(19)31)30(39)18-10-20-26(23(13-18)40-3)35(2)29(34-20)22-12-17-6-5-9-32-28(17)36(22)14-16-7-8-16/h4-6,9-10,12-13,16,19,21,25,27H,1,7-8,11,14-15,31H2,2-3H3,(H,33,38)/t19-,21+,25-,27-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Homo sapiens (Human))
BDBM449862
PNG
(US10703741, Compound I-5)
Show SMILES CN(C)C\C=C\C(=O)N[C@H]1CNC[C@@H]1NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C30H36N8O2/c1-36(2)13-5-7-27(39)33-23-16-31-17-24(23)35-30(40)21-10-11-25-22(14-21)34-29(37(25)3)26-15-20-6-4-12-32-28(20)38(26)18-19-8-9-19/h4-7,10-12,14-15,19,23-24,31H,8-9,13,16-18H2,1-3H3,(H,33,39)(H,35,40)/b7-5+/t23-,24-/m0/s1
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Mus musculus)
BDBM449858
PNG
(US10703741, Compound I-1)
Show SMILES CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@H]1N(C)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C31H38N8O2/c1-36(2)14-6-8-28(40)34-24-17-32-18-27(24)38(4)31(41)22-11-12-25-23(15-22)35-30(37(25)3)26-16-21-7-5-13-33-29(21)39(26)19-20-9-10-20/h5-8,11-13,15-16,20,24,27,32H,9-10,14,17-19H2,1-4H3,(H,34,40)/b8-6+/t24-,27-/m1/s1
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Homo sapiens (Human))
BDBM449861
PNG
(US10703741, Compound I-4 | US10703741, Compound I-...)
Show SMILES CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C30H36N8O2/c1-36(2)13-5-7-27(39)33-23-16-31-17-24(23)35-30(40)21-10-11-25-22(14-21)34-29(37(25)3)26-15-20-6-4-12-32-28(20)38(26)18-19-8-9-19/h4-7,10-12,14-15,19,23-24,31H,8-9,13,16-18H2,1-3H3,(H,33,39)(H,35,40)/b7-5+/t23-,24-/m1/s1
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Homo sapiens (Human))
BDBM449858
PNG
(US10703741, Compound I-1)
Show SMILES CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@H]1N(C)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C31H38N8O2/c1-36(2)14-6-8-28(40)34-24-17-32-18-27(24)38(4)31(41)22-11-12-25-23(15-22)35-30(37(25)3)26-16-21-7-5-13-33-29(21)39(26)19-20-9-10-20/h5-8,11-13,15-16,20,24,27,32H,9-10,14,17-19H2,1-4H3,(H,34,40)/b8-6+/t24-,27-/m1/s1
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Mus musculus)
BDBM449865
PNG
(US10703741, Compound I-8)
Show SMILES CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@@H](C1)NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C31H38N8O2/c1-37(2)13-5-7-28(40)34-23-16-24(18-32-17-23)35-31(41)22-10-11-26-25(14-22)36-30(38(26)3)27-15-21-6-4-12-33-29(21)39(27)19-20-8-9-20/h4-7,10-12,14-15,20,23-24,32H,8-9,13,16-19H2,1-3H3,(H,34,40)(H,35,41)/b7-5+/t23-,24+/m0/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Homo sapiens (Human))
BDBM449865
PNG
(US10703741, Compound I-8)
Show SMILES CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@@H](C1)NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C31H38N8O2/c1-37(2)13-5-7-28(40)34-23-16-24(18-32-17-23)35-31(41)22-10-11-26-25(14-22)36-30(38(26)3)27-15-21-6-4-12-33-29(21)39(27)19-20-8-9-20/h4-7,10-12,14-15,20,23-24,32H,8-9,13,16-19H2,1-3H3,(H,34,40)(H,35,41)/b7-5+/t23-,24+/m0/s1
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Homo sapiens (Human))
BDBM449867
PNG
(US10703741, Compound I-10)
Show SMILES CN(C)C\C=C\C(=O)N[C@@H]1C[C@H](N)CN(C1)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C31H38N8O2/c1-36(2)13-5-7-28(40)34-24-16-23(32)18-38(19-24)31(41)22-10-11-26-25(14-22)35-30(37(26)3)27-15-21-6-4-12-33-29(21)39(27)17-20-8-9-20/h4-7,10-12,14-15,20,23-24H,8-9,13,16-19,32H2,1-3H3,(H,34,40)/b7-5+/t23-,24+/m0/s1
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Homo sapiens (Human))
BDBM449874
PNG
(US10703741, Compound I-17)
Show SMILES COc1cc(cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2C[C@@H]([C@@H]1[C@@H]2N)N(C)C(=O)C=C
Show InChI InChI=1S/C31H35N7O3/c1-5-25(39)35(2)22-13-20-16-38(28(22)26(20)32)31(40)19-11-21-27(24(14-19)41-4)36(3)30(34-21)23-12-18-7-6-10-33-29(18)37(23)15-17-8-9-17/h5-7,10-12,14,17,20,22,26,28H,1,8-9,13,15-16,32H2,2-4H3/t20-,22+,26-,28-/m1/s1
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Homo sapiens (Human))
BDBM449868
PNG
(US10703741, Compound I-11)
Show SMILES Cn1c(nc2cc(ccc12)C(=O)N[C@H]1CNC[C@H]1OC(=O)C=C)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C27H28N6O3/c1-3-24(34)36-23-14-28-13-20(23)31-27(35)18-8-9-21-19(11-18)30-26(32(21)2)22-12-17-5-4-10-29-25(17)33(22)15-16-6-7-16/h3-5,8-12,16,20,23,28H,1,6-7,13-15H2,2H3,(H,31,35)/t20-,23+/m0/s1
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Homo sapiens (Human))
BDBM449864
PNG
(US10703741, Compound I-7)
Show SMILES CN(C)C\C=C\C(=O)NCCN(CCc1cnc[nH]1)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C33H39N9O2/c1-39(2)15-5-7-30(43)35-14-17-41(16-12-26-20-34-22-37-26)33(44)25-10-11-28-27(18-25)38-32(40(28)3)29-19-24-6-4-13-36-31(24)42(29)21-23-8-9-23/h4-7,10-11,13,18-20,22-23H,8-9,12,14-17,21H2,1-3H3,(H,34,37)(H,35,43)/b7-5+
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Homo sapiens (Human))
BDBM449863
PNG
(US10703741, Compound I-6)
Show SMILES CN(C)\C=C\C(=O)NCCN(CCC1C=NC=N1)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C32H37N9O2/c1-38(2)14-11-29(42)34-13-16-40(15-10-25-19-33-21-36-25)32(43)24-8-9-27-26(17-24)37-31(39(27)3)28-18-23-5-4-12-35-30(23)41(28)20-22-6-7-22/h4-5,8-9,11-12,14,17-19,21-22,25H,6-7,10,13,15-16,20H2,1-3H3,(H,34,42)/b14-11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Homo sapiens (Human))
BDBM449860
PNG
(US10703741, Compound I-3)
Show SMILES CN(C)C\C=C\C(=O)N[C@H]1CCN(C[C@H]1N)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C31H38N8O2/c1-36(2)14-5-7-28(40)34-24-12-15-38(19-23(24)32)31(41)22-10-11-26-25(16-22)35-30(37(26)3)27-17-21-6-4-13-33-29(21)39(27)18-20-8-9-20/h4-7,10-11,13,16-17,20,23-24H,8-9,12,14-15,18-19,32H2,1-3H3,(H,34,40)/b7-5+/t23-,24+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Homo sapiens (Human))
BDBM449873
PNG
(US10703741, Compound I-16)
Show SMILES COc1cc(cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2C[C@H]([C@@H]1[C@@H]2N)N(C)C(=O)C=C
Show InChI InChI=1S/C31H35N7O3/c1-5-25(39)35(2)22-13-20-16-38(28(22)26(20)32)31(40)19-11-21-27(24(14-19)41-4)36(3)30(34-21)23-12-18-7-6-10-33-29(18)37(23)15-17-8-9-17/h5-7,10-12,14,17,20,22,26,28H,1,8-9,13,15-16,32H2,2-4H3/t20-,22-,26-,28-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Homo sapiens (Human))
BDBM449870
PNG
(US10703741, Compound I-13)
Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@H](C1)NC(=O)C=C)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C28H30N6O2/c1-3-25(35)30-21-7-5-13-33(17-21)28(36)20-10-11-23-22(14-20)31-27(32(23)2)24-15-19-6-4-12-29-26(19)34(24)16-18-8-9-18/h3-4,6,10-12,14-15,18,21H,1,5,7-9,13,16-17H2,2H3,(H,30,35)/t21-/m1/s1
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Homo sapiens (Human))
BDBM449869
PNG
(US10703741, Compound I-12)
Show SMILES CN(C)C\C=C\C(=O)N[C@@H]1CCCN(C1)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C31H37N7O2/c1-35(2)15-6-9-28(39)33-24-8-5-16-37(20-24)31(40)23-12-13-26-25(17-23)34-30(36(26)3)27-18-22-7-4-14-32-29(22)38(27)19-21-10-11-21/h4,6-7,9,12-14,17-18,21,24H,5,8,10-11,15-16,19-20H2,1-3H3,(H,33,39)/b9-6+/t24-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Mus musculus)
BDBM449860
PNG
(US10703741, Compound I-3)
Show SMILES CN(C)C\C=C\C(=O)N[C@H]1CCN(C[C@H]1N)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C31H38N8O2/c1-36(2)14-5-7-28(40)34-24-12-15-38(19-23(24)32)31(41)22-10-11-26-25(16-22)35-30(37(26)3)27-17-21-6-4-13-33-29(21)39(27)18-20-8-9-20/h4-7,10-11,13,16-17,20,23-24H,8-9,12,14-15,18-19,32H2,1-3H3,(H,34,40)/b7-5+/t23-,24+/m1/s1
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Mus musculus)
BDBM449867
PNG
(US10703741, Compound I-10)
Show SMILES CN(C)C\C=C\C(=O)N[C@@H]1C[C@H](N)CN(C1)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C31H38N8O2/c1-36(2)13-5-7-28(40)34-24-16-23(32)18-38(19-24)31(41)22-10-11-26-25(14-22)35-30(37(26)3)27-15-21-6-4-12-33-29(21)39(27)17-20-8-9-20/h4-7,10-12,14-15,20,23-24H,8-9,13,16-19,32H2,1-3H3,(H,34,40)/b7-5+/t23-,24+/m0/s1
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Homo sapiens (Human))
BDBM449861
PNG
(US10703741, Compound I-4 | US10703741, Compound I-...)
Show SMILES CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C30H36N8O2/c1-36(2)13-5-7-27(39)33-23-16-31-17-24(23)35-30(40)21-10-11-25-22(14-21)34-29(37(25)3)26-15-20-6-4-12-32-28(20)38(26)18-19-8-9-19/h4-7,10-12,14-15,19,23-24,31H,8-9,13,16-18H2,1-3H3,(H,33,39)(H,35,40)/b7-5+/t23-,24-/m1/s1
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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


(Mus musculus)
BDBM449861
PNG
(US10703741, Compound I-4 | US10703741, Compound I-...)
Show SMILES CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Show InChI InChI=1S/C30H36N8O2/c1-36(2)13-5-7-27(39)33-23-16-31-17-24(23)35-30(40)21-10-11-25-22(14-21)34-29(37(25)3)26-15-20-6-4-12-32-28(20)38(26)18-19-8-9-19/h4-7,10-12,14-15,19,23-24,31H,8-9,13,16-18H2,1-3H3,(H,33,39)(H,35,40)/b7-5+/t23-,24-/m1/s1
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Padlock Therapeutics, Inc.

US Patent


Assay Description
Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...


US Patent US10703741 (2020)

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