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Compile Data Set for Download or QSAR

Found 555 hits with Last Name = 'fürstner' and Initial = 'c'   
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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM190298
PNG
(US9180120, 2)
Show SMILES NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C24H22ClF6N5O5/c25-15-7-5-13(6-8-15)20-34-36(22(40)35(20)10-18(37)24(29,30)31)11-19(38)33-9-14(12-41-21(32)39)16-3-1-2-4-17(16)23(26,27)28/h1-8,14,18,37H,9-12H2,(H2,32,39)(H,33,38)/t14?,18-/m0/s1
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Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtitre plates an...


US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM190302
PNG
(US9180120, 6)
Show SMILES NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C23H22Cl2F3N5O5/c24-15-7-5-13(6-8-15)20-31-33(22(37)32(20)10-18(34)23(26,27)28)11-19(35)30-9-14(12-38-21(29)36)16-3-1-2-4-17(16)25/h1-8,14,18,34H,9-12H2,(H2,29,36)(H,30,35)/t14?,18-/m0/s1
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US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtitre plates an...


US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255962
PNG
(US9481672, 140)
Show SMILES CCn1c2cc(ccc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2Cl)C(F)(F)F)c1=O
Show InChI InChI=1S/C23H18ClF3N4O5/c1-3-29-17-9-13(7-8-16(17)28(2)21(29)35)30-11-14(20(33)34)19(32)31(22(30)36)10-12-5-4-6-15(18(12)24)23(25,26)27/h4-9,11H,3,10H2,1-2H3,(H,33,34)
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n/an/a 1n/an/an/an/a7.5n/a



Bayer Pharma Aktiengesellschaft

US Patent


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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255964
PNG
(US9481672, 142)
Show SMILES Cn1c2ccc(cc2n(CC(F)(F)F)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(Cl)c2C(F)(F)F)c1=O
Show InChI InChI=1S/C23H15ClF6N4O5/c1-31-15-6-5-12(7-16(15)34(20(31)38)10-22(25,26)27)32-9-13(19(36)37)18(35)33(21(32)39)8-11-3-2-4-14(24)17(11)23(28,29)30/h2-7,9H,8,10H2,1H3,(H,36,37)
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Bayer Pharma Aktiengesellschaft

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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255968
PNG
(US9481672, 146)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc4n(C)c(=O)n(CC5CC5)c4c3)c2=O)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O5/c1-14-16(4-3-5-19(14)26(27,28)29)12-33-22(34)18(23(35)36)13-31(25(33)38)17-8-9-20-21(10-17)32(11-15-6-7-15)24(37)30(20)2/h3-5,8-10,13,15H,6-7,11-12H2,1-2H3,(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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256036
PNG
(US9481672, 217)
Show SMILES CC(C)n1c2cc(ccc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C26H23F3N4O5/c1-13(2)32-21-11-14(7-9-20(21)30(3)24(32)37)31-12-17(23(35)36)22(34)33(25(31)38)19-10-8-15-16(19)5-4-6-18(15)26(27,28)29/h4-7,9,11-13,19H,8,10H2,1-3H3,(H,35,36)/t19-/m1/s1
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Bayer Pharma Aktiengesellschaft

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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256064
PNG
(US9481672, 246)
Show SMILES Cn1c2ccc(cc2n(CC(O)C(F)(F)F)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C26H20F6N4O6/c1-33-18-7-5-12(9-19(18)35(23(33)41)11-20(37)26(30,31)32)34-10-15(22(39)40)21(38)36(24(34)42)17-8-6-13-14(17)3-2-4-16(13)25(27,28)29/h2-5,7,9-10,17,20,37H,6,8,11H2,1H3,(H,39,40)/t17-,20?/m1/s1
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256065
PNG
(US9481672, 247)
Show SMILES Cn1c2ccc(cc2n(CCC(F)(F)F)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C26H20F6N4O5/c1-33-19-7-5-13(11-20(19)34(23(33)40)10-9-25(27,28)29)35-12-16(22(38)39)21(37)36(24(35)41)18-8-6-14-15(18)3-2-4-17(14)26(30,31)32/h2-5,7,11-12,18H,6,8-10H2,1H3,(H,38,39)/t18-/m1/s1
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256099
PNG
(US9481672, 281)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C25H21F3N4O5/c1-29-19-10-9-13(11-20(19)30(2)23(29)36)31-12-16(22(34)35)21(33)32(24(31)37)18-8-4-5-14-15(18)6-3-7-17(14)25(26,27)28/h3,6-7,9-12,18H,4-5,8H2,1-2H3,(H,34,35)/t18-/m1/s1
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Bayer Pharma Aktiengesellschaft

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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM192452
PNG
(US9187466, 50 | US9687476, 50)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(Cc3ccccc3F)[nH]2)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
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Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...


US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM192451
PNG
(US9187466, 49 | US9687476, 49)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(Cc3ccccc3Cl)[nH]2)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
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Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...


US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
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
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Bayer Pharma Aktiengesellschaft

US Patent


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...


US Patent US9695131 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP448Z
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM190343
PNG
(US9180120, 47)
Show SMILES NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C22H20Cl2F3N5O5/c23-13-7-5-12(6-8-13)19-30-32(21(36)31(19)10-17(33)22(25,26)27)11-18(34)29-9-16(37-20(28)35)14-3-1-2-4-15(14)24/h1-8,16-17,33H,9-11H2,(H2,28,35)(H,29,34)/t16?,17-/m0/s1
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Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtitre plates an...


US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM190348
PNG
(US9180120, 52)
Show SMILES NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C22H19Cl3F3N5O5/c23-12-6-4-11(5-7-12)19-31-33(21(37)32(19)9-16(34)22(26,27)28)10-17(35)30-8-15(38-20(29)36)13-2-1-3-14(24)18(13)25/h1-7,15-16,34H,8-10H2,(H2,29,36)(H,30,35)/t15?,16-/m0/s1
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Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtitre plates an...


US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255927
PNG
(US9481672, 104)
Show SMILES CCOC(=O)c1cn(-c2cc3n(C)c(=O)n(C)c3cc2F)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C26H22F4N4O5/c1-4-39-23(36)15-12-33(19-11-21-20(10-17(19)27)31(2)24(37)32(21)3)25(38)34(22(15)35)18-9-8-13-14(18)6-5-7-16(13)26(28,29)30/h5-7,10-12,18H,4,8-9H2,1-3H3/t18-/m1/s1
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255944
PNG
(US9481672, 122)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2C(F)(F)F)C(F)(F)F)c1=O
Show InChI InChI=1S/C23H16F6N4O5/c1-30-15-7-6-12(8-16(15)31(2)20(30)37)32-10-13(19(35)36)18(34)33(21(32)38)9-11-4-3-5-14(22(24,25)26)17(11)23(27,28)29/h3-8,10H,9H2,1-2H3,(H,35,36)
PDB

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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255954
PNG
(US9481672, 132)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C24H19F3N4O5/c1-28-18-8-6-12(10-19(18)29(2)22(28)35)30-11-15(21(33)34)20(32)31(23(30)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,(H,33,34)/t17-/m1/s1
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255956
PNG
(US9481672, 134)
Show SMILES Cn1c2cc(F)c(cc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C24H18F4N4O5/c1-29-18-8-15(25)17(9-19(18)30(2)22(29)36)31-10-13(21(34)35)20(33)32(23(31)37)16-7-6-11-12(16)4-3-5-14(11)24(26,27)28/h3-5,8-10,16H,6-7H2,1-2H3,(H,34,35)/t16-/m1/s1
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255958
PNG
(US9481672, 136)
Show SMILES CCn1c2ccc(cc2n(CC)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O
Show InChI InChI=1S/C25H23F3N4O5/c1-4-29-19-10-9-16(11-20(19)30(5-2)23(29)36)31-13-17(22(34)35)21(33)32(24(31)37)12-15-7-6-8-18(14(15)3)25(26,27)28/h6-11,13H,4-5,12H2,1-3H3,(H,34,35)
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255961
PNG
(US9481672, 139)
Show SMILES CCn1c2cc(ccc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(Cl)c2C(F)(F)F)c1=O
Show InChI InChI=1S/C23H18ClF3N4O5/c1-3-29-17-9-13(7-8-16(17)28(2)21(29)35)30-11-14(20(33)34)19(32)31(22(30)36)10-12-5-4-6-15(24)18(12)23(25,26)27/h4-9,11H,3,10H2,1-2H3,(H,33,34)
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255963
PNG
(US9481672, 141)
Show SMILES CCn1c2cc(ccc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O
Show InChI InChI=1S/C24H21F3N4O5/c1-4-29-19-10-15(8-9-18(19)28(3)22(29)35)30-12-16(21(33)34)20(32)31(23(30)36)11-14-6-5-7-17(13(14)2)24(25,26)27/h5-10,12H,4,11H2,1-3H3,(H,33,34)
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255965
PNG
(US9481672, 143)
Show SMILES Cn1c2ccc(cc2n(CC(F)(F)F)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2Cl)C(F)(F)F)c1=O
Show InChI InChI=1S/C23H15ClF6N4O5/c1-31-15-6-5-12(7-16(15)34(20(31)38)10-22(25,26)27)32-9-13(19(36)37)18(35)33(21(32)39)8-11-3-2-4-14(17(11)24)23(28,29)30/h2-7,9H,8,10H2,1H3,(H,36,37)
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Bayer Pharma Aktiengesellschaft

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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255966
PNG
(US9481672, 144)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc4n(C)c(=O)n(CC(F)(F)F)c4c3)c2=O)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C24H18F6N4O5/c1-12-13(4-3-5-16(12)24(28,29)30)9-33-19(35)15(20(36)37)10-32(22(33)39)14-6-7-17-18(8-14)34(11-23(25,26)27)21(38)31(17)2/h3-8,10H,9,11H2,1-2H3,(H,36,37)
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255967
PNG
(US9481672, 145)
Show SMILES Cn1c2ccc(cc2n(CC2CC2)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2Cl)C(F)(F)F)c1=O
Show InChI InChI=1S/C25H20ClF3N4O5/c1-30-18-8-7-15(9-19(18)32(23(30)37)10-13-5-6-13)31-12-16(22(35)36)21(34)33(24(31)38)11-14-3-2-4-17(20(14)26)25(27,28)29/h2-4,7-9,12-13H,5-6,10-11H2,1H3,(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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255969
PNG
(US9481672, 147)
Show SMILES Cn1c2ccc(cc2n(CC2CC2)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(Cl)c2C(F)(F)F)c1=O
Show InChI InChI=1S/C25H20ClF3N4O5/c1-30-18-8-7-15(9-19(18)32(23(30)37)10-13-5-6-13)31-12-16(22(35)36)21(34)33(24(31)38)11-14-3-2-4-17(26)20(14)25(27,28)29/h2-4,7-9,12-13H,5-6,10-11H2,1H3,(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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255971
PNG
(US9481672, 149)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc4n(C)c(=O)n(C5CCC5)c4c3)c2=O)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O5/c1-14-15(5-3-8-19(14)26(27,28)29)12-32-22(34)18(23(35)36)13-31(25(32)38)17-9-10-20-21(11-17)33(16-6-4-7-16)24(37)30(20)2/h3,5,8-11,13,16H,4,6-7,12H2,1-2H3,(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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255973
PNG
(US9481672, 151)
Show SMILES CC(C)n1c2cc(ccc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O
Show InChI InChI=1S/C25H23F3N4O5/c1-13(2)32-20-10-16(8-9-19(20)29(4)23(32)36)30-12-17(22(34)35)21(33)31(24(30)37)11-15-6-5-7-18(14(15)3)25(26,27)28/h5-10,12-13H,11H2,1-4H3,(H,34,35)
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256043
PNG
(US9481672, 224)
Show SMILES CN1C(=O)C(C)(C)c2cc(ccc12)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C26H22F3N3O5/c1-25(2)18-11-13(7-9-20(18)30(3)23(25)36)31-12-16(22(34)35)21(33)32(24(31)37)19-10-8-14-15(19)5-4-6-17(14)26(27,28)29/h4-7,9,11-12,19H,8,10H2,1-3H3,(H,34,35)/t19-/m1/s1
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256046
PNG
(US9481672, 227)
Show SMILES CN1C(=O)C2(CC2)c2cc(ccc12)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C26H20F3N3O5/c1-30-20-7-5-13(11-18(20)25(9-10-25)23(30)36)31-12-16(22(34)35)21(33)32(24(31)37)19-8-6-14-15(19)3-2-4-17(14)26(27,28)29/h2-5,7,11-12,19H,6,8-10H2,1H3,(H,34,35)/t19-/m1/s1
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256059
PNG
(US9481672, 241)
Show SMILES Cn1c2ccc(cc2n(CC(F)(F)F)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C25H18F6N4O5/c1-32-18-7-5-12(9-19(18)34(22(32)39)11-24(26,27)28)33-10-15(21(37)38)20(36)35(23(33)40)17-8-6-13-14(17)3-2-4-16(13)25(29,30)31/h2-5,7,9-10,17H,6,8,11H2,1H3,(H,37,38)/t17-/m1/s1
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256062
PNG
(US9481672, 244)
Show SMILES CCn1c2cc(ccc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C25H21F3N4O5/c1-3-30-20-11-13(7-9-19(20)29(2)23(30)36)31-12-16(22(34)35)21(33)32(24(31)37)18-10-8-14-15(18)5-4-6-17(14)25(26,27)28/h4-7,9,11-12,18H,3,8,10H2,1-2H3,(H,34,35)/t18-/m1/s1
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256066
PNG
(US9481672, 248)
Show SMILES Cn1c2ccc(cc2n(C2CC2)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C26H21F3N4O5/c1-30-20-9-7-14(11-21(20)32(24(30)37)13-5-6-13)31-12-17(23(35)36)22(34)33(25(31)38)19-10-8-15-16(19)3-2-4-18(15)26(27,28)29/h2-4,7,9,11-13,19H,5-6,8,10H2,1H3,(H,35,36)/t19-/m1/s1
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256083
PNG
(US9481672, 265)
Show SMILES CCN1C(=O)C(C)(C)c2ccc(cc12)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2Cl)C(F)(F)F)c1=O
Show InChI InChI=1S/C25H21ClF3N3O5/c1-4-30-18-10-14(8-9-16(18)24(2,3)22(30)36)31-12-15(21(34)35)20(33)32(23(31)37)11-13-6-5-7-17(19(13)26)25(27,28)29/h5-10,12H,4,11H2,1-3H3,(H,34,35)
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256088
PNG
(BDBM256092 | BDBM256093 | US9481672, 270)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(C2CCCc3c(Cl)cccc23)c1=O
Show InChI InChI=1S/C24H21ClN4O5/c1-26-19-10-9-13(11-20(19)27(2)23(26)33)28-12-16(22(31)32)21(30)29(24(28)34)18-8-4-5-14-15(18)6-3-7-17(14)25/h3,6-7,9-12,18H,4-5,8H2,1-2H3,(H,31,32)
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256095
PNG
(US9481672, 277)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(C2CCCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C25H21F3N4O5/c1-29-19-10-9-13(11-20(19)30(2)23(29)36)31-12-16(22(34)35)21(33)32(24(31)37)18-8-4-5-14-15(18)6-3-7-17(14)25(26,27)28/h3,6-7,9-12,18H,4-5,8H2,1-2H3,(H,34,35)
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256111
PNG
(US9481672, 294)
Show SMILES Cn1c2ccc(cc2oc1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C24H18F3N3O6/c1-28-18-9-8-12(10-19(18)36-23(28)35)29-11-15(21(32)33)20(31)30(22(29)34)17-7-3-4-13-14(17)5-2-6-16(13)24(25,26)27/h2,5-6,8-11,17H,3-4,7H2,1H3,(H,32,33)/t17-/m1/s1
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256116
PNG
(US9481672, 300)
Show SMILES Cn1c2ccc(cc2sc1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C24H18F3N3O5S/c1-28-18-9-8-12(10-19(18)36-23(28)35)29-11-15(21(32)33)20(31)30(22(29)34)17-7-3-4-13-14(17)5-2-6-16(13)24(25,26)27/h2,5-6,8-11,17H,3-4,7H2,1H3,(H,32,33)/t17-/m1/s1
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM192449
PNG
(US9187466, 32 | US9687476, 32)
Show SMILES OC(=O)c1cccc(Cn2c(nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H19Cl3N6O3/c27-18-9-7-16(8-10-18)24-33-35(26(38)34(24)13-15-3-1-4-17(11-15)25(36)37)14-23-30-22(31-32-23)12-19-20(28)5-2-6-21(19)29/h1-11H,12-14H2,(H,36,37)(H,30,31,32)
PDB

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Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...


US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
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...


US Patent US9695131 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP448Z
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
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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...


US Patent US9695131 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP448Z
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
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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...


US Patent US9695131 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP448Z
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM190338
PNG
(US9180120, 42)
Show SMILES NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C23H20ClF6N5O5/c24-13-7-5-12(6-8-13)19-33-35(21(39)34(19)10-17(36)23(28,29)30)11-18(37)32-9-16(40-20(31)38)14-3-1-2-4-15(14)22(25,26)27/h1-8,16-17,36H,9-11H2,(H2,31,38)(H,32,37)/t16?,17-/m0/s1
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Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtitre plates an...


US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255939
PNG
(US9481672, 117)
Show SMILES CCOC(=O)c1cn(-c2ccc3n(C)c(=O)n(C4CC4)c3c2)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C28H25F3N4O5/c1-3-40-25(37)19-14-33(16-9-11-22-23(13-16)34(15-7-8-15)26(38)32(22)2)27(39)35(24(19)36)21-12-10-17-18(21)5-4-6-20(17)28(29,30)31/h4-6,9,11,13-15,21H,3,7-8,10,12H2,1-2H3/t21-/m1/s1
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM255943
PNG
(US9481672, 121)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc4n(C)c(=O)n(C)c4c3)c2=O)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O5/c1-12-13(5-4-6-16(12)23(24,25)26)10-30-19(31)15(20(32)33)11-29(22(30)35)14-7-8-17-18(9-14)28(3)21(34)27(17)2/h4-9,11H,10H2,1-3H3,(H,32,33)
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256011
PNG
(US9481672, 189)
Show SMILES Cn1c2ccc(cc2oc1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C23H16F3N3O6/c1-27-17-7-5-11(9-18(17)35-22(27)34)28-10-14(20(31)32)19(30)29(21(28)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,(H,31,32)/t16-/m1/s1
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256027
PNG
(US9481672, 205)
Show SMILES CN1C(=O)C(C)(C)c2ccc(cc12)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O
Show InChI InChI=1S/C25H22F3N3O5/c1-13-14(6-5-7-17(13)25(26,27)28)11-31-20(32)16(21(33)34)12-30(23(31)36)15-8-9-18-19(10-15)29(4)22(35)24(18,2)3/h5-10,12H,11H2,1-4H3,(H,33,34)
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256028
PNG
(US9481672, 206)
Show SMILES CN1C(=O)C(C)(C)c2ccc(cc12)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2Cl)C(F)(F)F)c1=O
Show InChI InChI=1S/C24H19ClF3N3O5/c1-23(2)15-8-7-13(9-17(15)29(3)21(23)35)30-11-14(20(33)34)19(32)31(22(30)36)10-12-5-4-6-16(18(12)25)24(26,27)28/h4-9,11H,10H2,1-3H3,(H,33,34)
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256042
PNG
(US9481672, 223)
Show SMILES CN1C(=O)C(C)(C)c2cc(ccc12)-n1cc(C(O)=O)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C26H22F3N3O5/c1-25(2)18-11-13(7-9-20(18)30(3)23(25)36)31-12-16(22(34)35)21(33)32(24(31)37)19-10-8-14-15(19)5-4-6-17(14)26(27,28)29/h4-7,9,11-12,19H,8,10H2,1-3H3,(H,34,35)
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256045
PNG
(US9481672, 226)
Show SMILES CN1C(=O)C2(CC2)c2cc(ccc12)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O
Show InChI InChI=1S/C25H20F3N3O5/c1-13-14(4-3-5-17(13)25(26,27)28)11-31-20(32)16(21(33)34)12-30(23(31)36)15-6-7-19-18(10-15)24(8-9-24)22(35)29(19)2/h3-7,10,12H,8-9,11H2,1-2H3,(H,33,34)
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
chymase


(Mesocricetus auratus (Golden hamster))
BDBM256113
PNG
(US9481672, 296)
Show SMILES Cn1c2ccc(cc2sc1=O)-n1cc(C(O)=O)c(=O)n(C2CCCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1S/C24H18F3N3O5S/c1-28-18-9-8-12(10-19(18)36-23(28)35)29-11-15(21(32)33)20(31)30(22(29)34)17-7-3-4-13-14(17)5-2-6-16(13)24(25,26)27/h2,5-6,8-11,17H,3-4,7H2,1H3,(H,32,33)
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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...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
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