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Patent code US9695131

Compile Data Set for Download or QSAR
Found 56 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88376
PNG
(US9695131, 13)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(-c2nnn[nH]2)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C24H19F3N8O3/c1-32-18-8-6-12(10-19(18)33(2)22(32)37)34-11-15(20-28-30-31-29-20)21(36)35(23(34)38)17-9-7-13-14(17)4-3-5-16(13)24(25,26)27/h3-6,8,10-11,17H,7,9H2,1-2H3,(H,28,29,30,31)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88556
PNG
(US9695131, 63)
Show SMILES Cn1c2ccc(cc2oc1=O)-n1cc(C(=O)NC#N)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C24H16F3N5O5/c1-30-18-7-5-12(9-19(18)37-23(30)36)31-10-15(20(33)29-11-28)21(34)32(22(31)35)17-8-6-13-14(17)3-2-4-16(13)24(25,26)27/h2-5,7,9-10,17H,6,8H2,1H3,(H,29,33)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88378
PNG
(US9695131, 15)
Show SMILES Cn1c2ccc(cc2sc1=O)-n1cc(-c2nnn[nH]2)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C23H16F3N7O3S/c1-31-17-7-5-11(9-18(17)37-22(31)36)32-10-14(19-27-29-30-28-19)20(34)33(21(32)35)16-8-6-12-13(16)3-2-4-15(12)23(24,25)26/h2-5,7,9-10,16H,6,8H2,1H3,(H,27,28,29,30)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88379
PNG
(US9695131, 16 | US9695131, 17 | US9695131, 18)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(-c2nnn[nH]2)c(=O)n(C2CCc3c2cccc3Cl)c1=O
Show InChI InChI=1S/C23H19ClN8O3/c1-29-18-8-6-12(10-19(18)30(2)22(29)34)31-11-15(20-25-27-28-26-20)21(33)32(23(31)35)17-9-7-13-14(17)4-3-5-16(13)24/h3-6,8,10-11,17H,7,9H2,1-2H3,(H,25,26,27,28)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88542
PNG
(US9695131, 51)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc4n(C)c(=O)n(C)c4c3)c2=O)C(=O)NC2(CCC2)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C28H26F3N5O6/c1-15-16(6-4-7-19(15)28(29,30)31)13-36-23(38)18(22(37)32-27(24(39)40)10-5-11-27)14-35(26(36)42)17-8-9-20-21(12-17)34(3)25(41)33(20)2/h4,6-9,12,14H,5,10-11,13H2,1-3H3,(H,32,37)(H,39,40)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88395
PNG
(US9695131, 32)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(-c2noc(=O)[nH]2)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C25H19F3N6O5/c1-31-18-8-6-12(10-19(18)32(2)23(31)37)33-11-15(20-29-22(36)39-30-20)21(35)34(24(33)38)17-9-7-13-14(17)4-3-5-16(13)25(26,27)28/h3-6,8,10-11,17H,7,9H2,1-2H3,(H,29,30,36)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88392
PNG
(US9695131, 29 | US9695131, 30 | US9695131, 31)
Show SMILES Cn1c2ccc(cc2oc1=O)-n1cc(-c2nnn[nH]2)c(=O)n(C2CCCc3c(Cl)cccc23)c1=O
Show InChI InChI=1S/C23H18ClN7O4/c1-29-18-9-8-12(10-19(18)35-23(29)34)30-11-15(20-25-27-28-26-20)21(32)31(22(30)33)17-7-3-4-13-14(17)5-2-6-16(13)24/h2,5-6,8-11,17H,3-4,7H2,1H3,(H,25,26,27,28)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88377
PNG
(US9695131, 14)
Show SMILES Cn1c2ccc(cc2oc1=O)-n1cc(-c2nnn[nH]2)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C23H16F3N7O4/c1-31-17-7-5-11(9-18(17)37-22(31)36)32-10-14(19-27-29-30-28-19)20(34)33(21(32)35)16-8-6-12-13(16)3-2-4-15(12)23(24,25)26/h2-5,7,9-10,16H,6,8H2,1H3,(H,27,28,29,30)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88540
PNG
(US9695131, 49)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc4n(C)c(=O)n(C)c4c3)c2=O)C(=O)NC(C)(C)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O6/c1-14-15(7-6-8-18(14)27(28,29)30)12-35-22(37)17(21(36)31-26(2,3)23(38)39)13-34(25(35)41)16-9-10-19-20(11-16)33(5)24(40)32(19)4/h6-11,13H,12H2,1-5H3,(H,31,36)(H,38,39)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88538
PNG
(US9695131, 47)
Show SMILES CC(NC(=O)c1cn(-c2ccc3N(C)C(=O)C(C)(C)c3c2)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O)C(O)=O
Show InChI InChI=1S/C28H27F3N4O6/c1-14-16(7-6-8-19(14)28(29,30)31)12-35-23(37)18(22(36)32-15(2)24(38)39)13-34(26(35)41)17-9-10-21-20(11-17)27(3,4)25(40)33(21)5/h6-11,13,15H,12H2,1-5H3,(H,32,36)(H,38,39)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88379
PNG
(US9695131, 16 | US9695131, 17 | US9695131, 18)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(-c2nnn[nH]2)c(=O)n(C2CCc3c2cccc3Cl)c1=O
Show InChI InChI=1S/C23H19ClN8O3/c1-29-18-8-6-12(10-19(18)30(2)22(29)34)31-11-15(20-25-27-28-26-20)21(33)32(23(31)35)17-9-7-13-14(17)4-3-5-16(13)24/h3-6,8,10-11,17H,7,9H2,1-2H3,(H,25,26,27,28)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88364
PNG
(US9695131, 1)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C#N)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C24H18F3N5O3/c1-29-19-8-6-14(10-20(19)30(2)22(29)34)31-12-13(11-28)21(33)32(23(31)35)18-9-7-15-16(18)4-3-5-17(15)24(25,26)27/h3-6,8,10,12,18H,7,9H2,1-2H3
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88396
PNG
(US9695131, 33)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc4n(C)c(=O)n(C)c4c3)c2=O)-c2noc(=O)[nH]2)cccc1C(F)(F)F
Show InChI InChI=1S/C24H19F3N6O5/c1-12-13(5-4-6-16(12)24(25,26)27)10-33-20(34)15(19-28-21(35)38-29-19)11-32(23(33)37)14-7-8-17-18(9-14)31(3)22(36)30(17)2/h4-9,11H,10H2,1-3H3,(H,28,29,35)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88385
PNG
(US9695131, 22 | US9695131, 23 | US9695131, 24)
Show SMILES Cn1c2ccc(cc2sc1=O)-n1cc(-c2nnn[nH]2)c(=O)n(C2CCc3c2cccc3Cl)c1=O
Show InChI InChI=1S/C22H16ClN7O3S/c1-28-17-7-5-11(9-18(17)34-22(28)33)29-10-14(19-24-26-27-25-19)20(31)30(21(29)32)16-8-6-12-13(16)3-2-4-15(12)23/h2-5,7,9-10,16H,6,8H2,1H3,(H,24,25,26,27)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88555
PNG
(US9695131, 62)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C(=O)NC#N)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C25H19F3N6O4/c1-31-19-8-6-13(10-20(19)32(2)23(31)37)33-11-16(21(35)30-12-29)22(36)34(24(33)38)18-9-7-14-15(18)4-3-5-17(14)25(26,27)28/h3-6,8,10-11,18H,7,9H2,1-2H3,(H,30,35)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88382
PNG
(US9695131, 19)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc4n(C)c(=O)n(C)c4c3)c2=O)-c2nnn[nH]2)cccc1C(F)(F)F
Show InChI InChI=1S/C23H19F3N8O3/c1-12-13(5-4-6-16(12)23(24,25)26)10-34-20(35)15(19-27-29-30-28-19)11-33(22(34)37)14-7-8-17-18(9-14)32(3)21(36)31(17)2/h4-9,11H,10H2,1-3H3,(H,27,28,29,30)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88369
PNG
(US9695131, 6)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc4n(C)c(=O)n(C)c4c3)c2=O)C#N)cccc1C(F)(F)F
Show InChI InChI=1S/C23H18F3N5O3/c1-13-14(5-4-6-17(13)23(24,25)26)11-31-20(32)15(10-27)12-30(22(31)34)16-7-8-18-19(9-16)29(3)21(33)28(18)2/h4-9,12H,11H2,1-3H3
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88385
PNG
(US9695131, 22 | US9695131, 23 | US9695131, 24)
Show SMILES Cn1c2ccc(cc2sc1=O)-n1cc(-c2nnn[nH]2)c(=O)n(C2CCc3c2cccc3Cl)c1=O
Show InChI InChI=1S/C22H16ClN7O3S/c1-28-17-7-5-11(9-18(17)34-22(28)33)29-10-14(19-24-26-27-25-19)20(31)30(21(29)32)16-8-6-12-13(16)3-2-4-15(12)23/h2-5,7,9-10,16H,6,8H2,1H3,(H,24,25,26,27)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88375
PNG
(US9695131, 12)
Show SMILES Cc1c(C#N)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c(=O)n1-c1ccc2n(C)c(=O)oc2c1
Show InChI InChI=1S/C24H17F3N4O4/c1-12-16(11-28)21(32)31(18-9-7-14-15(18)4-3-5-17(14)24(25,26)27)22(33)30(12)13-6-8-19-20(10-13)35-23(34)29(19)2/h3-6,8,10,18H,7,9H2,1-2H3
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88529
PNG
(US9695131, 38)
Show SMILES Cn1c2ccc(cc2oc1=O)-n1cc(-c2noc(=O)[nH]2)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C24H16F3N5O6/c1-30-17-7-5-11(9-18(17)37-23(30)36)31-10-14(19-28-21(34)38-29-19)20(33)32(22(31)35)16-8-6-12-13(16)3-2-4-15(12)24(25,26)27/h2-5,7,9-10,16H,6,8H2,1H3,(H,28,29,34)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88534
PNG
(US9695131, 43)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C(N)=O)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C24H20F3N5O4/c1-29-18-8-6-12(10-19(18)30(2)22(29)35)31-11-15(20(28)33)21(34)32(23(31)36)17-9-7-13-14(17)4-3-5-16(13)24(25,26)27/h3-6,8,10-11,17H,7,9H2,1-2H3,(H2,28,33)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88366
PNG
(US9695131, 3)
Show SMILES Cn1c2ccc(cc2sc1=O)-n1cc(C#N)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C23H15F3N4O3S/c1-28-18-7-5-13(9-19(18)34-22(28)33)29-11-12(10-27)20(31)30(21(29)32)17-8-6-14-15(17)3-2-4-16(14)23(24,25)26/h2-5,7,9,11,17H,6,8H2,1H3
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88533
PNG
(US9695131, 42)
Show SMILES Cn1c2ccc(cc2sc1=O)-n1cc(C(N)=O)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C23H17F3N4O4S/c1-28-17-7-5-11(9-18(17)35-22(28)34)29-10-14(19(27)31)20(32)30(21(29)33)16-8-6-12-13(16)3-2-4-15(12)23(24,25)26/h2-5,7,9-10,16H,6,8H2,1H3,(H2,27,31)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88532
PNG
(US9695131, 41)
Show SMILES Cn1c2ccc(cc2oc1=O)-n1cc(C(N)=O)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C23H17F3N4O5/c1-28-17-7-5-11(9-18(17)35-22(28)34)29-10-14(19(27)31)20(32)30(21(29)33)16-8-6-12-13(16)3-2-4-15(12)23(24,25)26/h2-5,7,9-10,16H,6,8H2,1H3,(H2,27,31)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88531
PNG
(US9695131, 40)
Show SMILES COc1ccc(cc1OC)-n1cc(-c2nsc(=O)[nH]2)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O
Show InChI InChI=1S/C23H19F3N4O5S/c1-12-13(5-4-6-16(12)23(24,25)26)10-30-20(31)15(19-27-21(32)36-28-19)11-29(22(30)33)14-7-8-17(34-2)18(9-14)35-3/h4-9,11H,10H2,1-3H3,(H,27,28,32)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88392
PNG
(US9695131, 29 | US9695131, 30 | US9695131, 31)
Show SMILES Cn1c2ccc(cc2oc1=O)-n1cc(-c2nnn[nH]2)c(=O)n(C2CCCc3c(Cl)cccc23)c1=O
Show InChI InChI=1S/C23H18ClN7O4/c1-29-18-9-8-12(10-19(18)35-23(29)34)30-11-15(20-25-27-28-26-20)21(32)31(22(30)33)17-7-3-4-13-14(17)5-2-6-16(13)24/h2,5-6,8-11,17H,3-4,7H2,1H3,(H,25,26,27,28)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88530
PNG
(US9695131, 39)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc(cc3)N3CCOC3=O)c2=O)-c2nsc(=O)[nH]2)cccc1C(F)(F)F
Show InChI InChI=1S/C24H18F3N5O5S/c1-13-14(3-2-4-18(13)24(25,26)27)11-32-20(33)17(19-28-21(34)38-29-19)12-31(22(32)35)16-7-5-15(6-8-16)30-9-10-37-23(30)36/h2-8,12H,9-11H2,1H3,(H,28,29,34)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88554
PNG
(US9695131, 61)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc(cc3)N3CCNC3=O)c2=O)C(=O)NC(CO)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C26H24F3N5O7/c1-14-15(3-2-4-19(14)26(27,28)29)11-34-22(37)18(21(36)31-20(13-35)23(38)39)12-33(25(34)41)17-7-5-16(6-8-17)32-10-9-30-24(32)40/h2-8,12,20,35H,9-11,13H2,1H3,(H,30,40)(H,31,36)(H,38,39)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88365
PNG
(US9695131, 2)
Show SMILES Cn1c2ccc(cc2oc1=O)-n1cc(C#N)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C23H15F3N4O4/c1-28-18-7-5-13(9-19(18)34-22(28)33)29-11-12(10-27)20(31)30(21(29)32)17-8-6-14-15(17)3-2-4-16(14)23(24,25)26/h2-5,7,9,11,17H,6,8H2,1H3
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88550
PNG
(US9695131, 57)
Show SMILES CC(NC(=O)c1cn(-c2ccc3n(C)cnc3c2)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O)C(O)=O
Show InChI InChI=1S/C25H22F3N5O5/c1-13-15(5-4-6-18(13)25(26,27)28)10-33-22(35)17(21(34)30-14(2)23(36)37)11-32(24(33)38)16-7-8-20-19(9-16)29-12-31(20)3/h4-9,11-12,14H,10H2,1-3H3,(H,30,34)(H,36,37)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88527
PNG
(US9695131, 36)
Show SMILES COc1ccc(cc1OC)-n1cc(-c2noc(=O)[nH]2)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O
Show InChI InChI=1S/C23H19F3N4O6/c1-12-13(5-4-6-16(12)23(24,25)26)10-30-20(31)15(19-27-21(32)36-28-19)11-29(22(30)33)14-7-8-17(34-2)18(9-14)35-3/h4-9,11H,10H2,1-3H3,(H,27,28,32)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88383
PNG
(US9695131, 20)
Show SMILES COc1ccc(cc1OC)-n1cc(-c2nnn[nH]2)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O
Show InChI InChI=1S/C22H19F3N6O4/c1-12-13(5-4-6-16(12)22(23,24)25)10-31-20(32)15(19-26-28-29-27-19)11-30(21(31)33)14-7-8-17(34-2)18(9-14)35-3/h4-9,11H,10H2,1-3H3,(H,26,27,28,29)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88536
PNG
(US9695131, 45)
Show SMILES CC(NC(=O)c1cn(-c2ccc(cc2)N2CCNC2=O)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O)C(O)=O
Show InChI InChI=1S/C26H24F3N5O6/c1-14-16(4-3-5-20(14)26(27,28)29)12-34-22(36)19(21(35)31-15(2)23(37)38)13-33(25(34)40)18-8-6-17(7-9-18)32-11-10-30-24(32)39/h3-9,13,15H,10-12H2,1-2H3,(H,30,39)(H,31,35)(H,37,38)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88368
PNG
(US9695131, 5)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc(cc3)N3CCOC3=O)c2=O)C#N)cccc1C(F)(F)F
Show InChI InChI=1S/C23H17F3N4O4/c1-14-15(3-2-4-19(14)23(24,25)26)12-30-20(31)16(11-27)13-29(21(30)32)18-7-5-17(6-8-18)28-9-10-34-22(28)33/h2-8,13H,9-10,12H2,1H3
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88388
PNG
(US9695131, 25)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc(cc3)N3CCOC3=O)c2=O)-c2nnn[nH]2)cccc1C(F)(F)F
Show InChI InChI=1S/C23H18F3N7O4/c1-13-14(3-2-4-18(13)23(24,25)26)11-33-20(34)17(19-27-29-30-28-19)12-32(21(33)35)16-7-5-15(6-8-16)31-9-10-37-22(31)36/h2-8,12H,9-11H2,1H3,(H,27,28,29,30)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88384
PNG
(US9695131, 21)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc(cc3)N3CCNC3=O)c2=O)-c2nnn[nH]2)cccc1C(F)(F)F
Show InChI InChI=1S/C23H19F3N8O3/c1-13-14(3-2-4-18(13)23(24,25)26)11-34-20(35)17(19-28-30-31-29-19)12-33(22(34)37)16-7-5-15(6-8-16)32-10-9-27-21(32)36/h2-8,12H,9-11H2,1H3,(H,27,36)(H,28,29,30,31)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88372
PNG
(US9695131, 9)
Show SMILES COc1ccc(cc1OC)-n1cc(C#N)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O
Show InChI InChI=1S/C22H18F3N3O4/c1-13-14(5-4-6-17(13)22(23,24)25)11-28-20(29)15(10-26)12-27(21(28)30)16-7-8-18(31-2)19(9-16)32-3/h4-9,12H,11H2,1-3H3
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88526
PNG
(US9695131, 35)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc(cc3)N3CCOC3=O)c2=O)-c2noc(=O)[nH]2)cccc1C(F)(F)F
Show InChI InChI=1S/C24H18F3N5O6/c1-13-14(3-2-4-18(13)24(25,26)27)11-32-20(33)17(19-28-21(34)38-29-19)12-31(22(32)35)16-7-5-15(6-8-16)30-9-10-37-23(30)36/h2-8,12H,9-11H2,1H3,(H,28,29,34)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88370
PNG
(US9695131, 7)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C#N)c(=O)n(C2CCc3c2cccc3Cl)c1=O
Show InChI InChI=1S/C23H18ClN5O3/c1-26-19-8-6-14(10-20(19)27(2)22(26)31)28-12-13(11-25)21(30)29(23(28)32)18-9-7-15-16(18)4-3-5-17(15)24/h3-6,8,10,12,18H,7,9H2,1-2H3
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88541
PNG
(US9695131, 50)
Show SMILES CCOC(=O)C1(CCC1)NC(=O)c1cn(-c2ccc3n(C)c(=O)n(C)c3c2)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O
Show InChI InChI=1S/C30H30F3N5O6/c1-5-44-26(41)29(12-7-13-29)34-24(39)20-16-37(19-10-11-22-23(14-19)36(4)27(42)35(22)3)28(43)38(25(20)40)15-18-8-6-9-21(17(18)2)30(31,32)33/h6,8-11,14,16H,5,7,12-13,15H2,1-4H3,(H,34,39)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88379
PNG
(US9695131, 16 | US9695131, 17 | US9695131, 18)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(-c2nnn[nH]2)c(=O)n(C2CCc3c2cccc3Cl)c1=O
Show InChI InChI=1S/C23H19ClN8O3/c1-29-18-8-6-12(10-19(18)30(2)22(29)34)31-11-15(20-25-27-28-26-20)21(33)32(23(31)35)17-9-7-13-14(17)4-3-5-16(13)24/h3-6,8,10-11,17H,7,9H2,1-2H3,(H,25,26,27,28)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88389
PNG
(US9695131, 26)
Show SMILES COc1ccc(cc1)-n1cc(-c2nnn[nH]2)c(=O)n(Cc2cccc(c2Cl)C(F)(F)F)c1=O
Show InChI InChI=1S/C20H14ClF3N6O3/c1-33-13-7-5-12(6-8-13)29-10-14(17-25-27-28-26-17)18(31)30(19(29)32)9-11-3-2-4-15(16(11)21)20(22,23)24/h2-8,10H,9H2,1H3,(H,25,26,27,28)
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The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88367
PNG
(US9695131, 4)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc(cc3)N3CCNC3=O)c2=O)C#N)cccc1C(F)(F)F
Show InChI InChI=1S/C23H18F3N5O3/c1-14-15(3-2-4-19(14)23(24,25)26)12-31-20(32)16(11-27)13-30(22(31)34)18-7-5-17(6-8-18)29-10-9-28-21(29)33/h2-8,13H,9-10,12H2,1H3,(H,28,33)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88371
PNG
(US9695131, 8)
Show SMILES Cn1c2ccc(cc2sc1=O)-n1cc(C#N)c(=O)n(C2CCc3c2cccc3Cl)c1=O
Show InChI InChI=1S/C22H15ClN4O3S/c1-25-18-7-5-13(9-19(18)31-22(25)30)26-11-12(10-24)20(28)27(21(26)29)17-8-6-14-15(17)3-2-4-16(14)23/h2-5,7,9,11,17H,6,8H2,1H3
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88539
PNG
(US9695131, 48)
Show SMILES CCOC(=O)C(C)(C)NC(=O)c1cn(-c2ccc3n(C)c(=O)n(C)c3c2)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O
Show InChI InChI=1S/C29H30F3N5O6/c1-7-43-25(40)28(3,4)33-23(38)19-15-36(18-11-12-21-22(13-18)35(6)26(41)34(21)5)27(42)37(24(19)39)14-17-9-8-10-20(16(17)2)29(30,31)32/h8-13,15H,7,14H2,1-6H3,(H,33,38)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88397
PNG
(US9695131, 34)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc(cc3)N3CCNC3=O)c2=O)-c2noc(=O)[nH]2)cccc1C(F)(F)F
Show InChI InChI=1S/C24H19F3N6O5/c1-13-14(3-2-4-18(13)24(25,26)27)11-33-20(34)17(19-29-22(36)38-30-19)12-32(23(33)37)16-7-5-15(6-8-16)31-10-9-28-21(31)35/h2-8,12H,9-11H2,1H3,(H,28,35)(H,29,30,36)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88547
PNG
(US9695131, 54)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc(cc3)N3CCNC3=O)c2=O)C(=O)NCCC(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C26H24F3N5O6/c1-15-16(3-2-4-20(15)26(27,28)29)13-34-23(38)19(22(37)30-10-9-21(35)36)14-33(25(34)40)18-7-5-17(6-8-18)32-12-11-31-24(32)39/h2-8,14H,9-13H2,1H3,(H,30,37)(H,31,39)(H,35,36)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88528
PNG
(US9695131, 37)
Show SMILES COc1ccc(cc1)-n1cc(-c2noc(=O)[nH]2)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O
Show InChI InChI=1S/C22H17F3N4O5/c1-12-13(4-3-5-17(12)22(23,24)25)10-29-19(30)16(18-26-20(31)34-27-18)11-28(21(29)32)14-6-8-15(33-2)9-7-14/h3-9,11H,10H2,1-2H3,(H,26,27,31)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88385
PNG
(US9695131, 22 | US9695131, 23 | US9695131, 24)
Show SMILES Cn1c2ccc(cc2sc1=O)-n1cc(-c2nnn[nH]2)c(=O)n(C2CCc3c2cccc3Cl)c1=O
Show InChI InChI=1S/C22H16ClN7O3S/c1-28-17-7-5-11(9-18(17)34-22(28)33)29-10-14(19-24-26-27-25-19)20(31)30(21(29)32)16-8-6-12-13(16)3-2-4-15(12)23/h2-5,7,9-10,16H,6,8H2,1H3,(H,24,25,26,27)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88543
PNG
(US9695131, 52)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc(cc3)N3CCNC3=O)c2=O)C(N)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C23H20F3N5O4/c1-13-14(3-2-4-18(13)23(24,25)26)11-31-20(33)17(19(27)32)12-30(22(31)35)16-7-5-15(6-8-16)29-10-9-28-21(29)34/h2-8,12H,9-11H2,1H3,(H2,27,32)(H,28,34)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88390
PNG
(US9695131, 27)
Show SMILES COc1ccc(cc1)-n1cc(-c2nnn[nH]2)c(=O)n(Cc2cccc(Cl)c2Cl)c1=O
Show InChI InChI=1S/C19H14Cl2N6O3/c1-30-13-7-5-12(6-8-13)26-10-14(17-22-24-25-23-17)18(28)27(19(26)29)9-11-3-2-4-15(20)16(11)21/h2-8,10H,9H2,1H3,(H,22,23,24,25)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88546
PNG
(US9695131, 53)
Show SMILES COC(=O)CCNC(=O)c1cn(-c2ccc(cc2)N2CCNC2=O)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O
Show InChI InChI=1S/C27H26F3N5O6/c1-16-17(4-3-5-21(16)27(28,29)30)14-35-24(38)20(23(37)31-11-10-22(36)41-2)15-34(26(35)40)19-8-6-18(7-9-19)33-13-12-32-25(33)39/h3-9,15H,10-14H2,1-2H3,(H,31,37)(H,32,39)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88548
PNG
(US9695131, 55)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc(cc3)N3CCNC3=O)c2=O)C(=O)NCC#N)cccc1C(F)(F)F
Show InChI InChI=1S/C25H21F3N6O4/c1-15-16(3-2-4-20(15)25(26,27)28)13-34-22(36)19(21(35)30-10-9-29)14-33(24(34)38)18-7-5-17(6-8-18)32-12-11-31-23(32)37/h2-8,14H,10-13H2,1H3,(H,30,35)(H,31,37)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88392
PNG
(US9695131, 29 | US9695131, 30 | US9695131, 31)
Show SMILES Cn1c2ccc(cc2oc1=O)-n1cc(-c2nnn[nH]2)c(=O)n(C2CCCc3c(Cl)cccc23)c1=O
Show InChI InChI=1S/C23H18ClN7O4/c1-29-18-9-8-12(10-19(18)35-23(29)34)30-11-15(20-25-27-28-26-20)21(32)31(22(30)33)17-7-3-4-13-14(17)5-2-6-16(13)24/h2,5-6,8-11,17H,3-4,7H2,1H3,(H,25,26,27,28)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88552
PNG
(US9695131, 59)
Show SMILES COc1ccc(cc1)-n1cc(C(=O)NCCC(O)=O)c(=O)n(Cc2cccc(Cl)c2Cl)c1=O
Show InChI InChI=1S/C22H19Cl2N3O6/c1-33-15-7-5-14(6-8-15)26-12-16(20(30)25-10-9-18(28)29)21(31)27(22(26)32)11-13-3-2-4-17(23)19(13)24/h2-8,12H,9-11H2,1H3,(H,25,30)(H,28,29)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


Citation and Details
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88553
PNG
(US9695131, 60)
Show SMILES COC(=O)C(COC(C)(C)C)NC(=O)c1cn(-c2ccc(cc2)N2CCNC2=O)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O
Show InChI InChI=1S/C31H34F3N5O7/c1-18-19(7-6-8-23(18)31(32,33)34)15-39-26(41)22(25(40)36-24(27(42)45-5)17-46-30(2,3)4)16-38(29(39)44)21-11-9-20(10-12-21)37-14-13-35-28(37)43/h6-12,16,24H,13-15,17H2,1-5H3,(H,35,43)(H,36,40)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


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Ligand-Target Pair
* indicates data uncertainty>20%