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Compile Data Set for Download or QSAR

Found 817 hits Enz. Inhib. hit(s) with Target = 'Chymase'   
Target
(Institution)
LigandTarget
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


(Homo sapiens (human))
BDBM100340
PNG
(US8501749, 40)
Show SMILES CCCCC(CC(O)=O)n1c(=O)n(Cc2cn(C)c3cc(C)cc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C26H30N4O4/c1-5-6-8-19(13-22(31)32)30-25(33)24-20(9-7-10-27-24)29(26(30)34)15-18-14-28(4)21-12-16(2)11-17(3)23(18)21/h7,9-12,14,19H,5-6,8,13,15H2,1-4H3,(H,31,32)
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US Patent
n/an/a 0.300n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100336
PNG
(US8501749, 36)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cc(C)cc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C24H26N4O4/c1-5-17(11-20(29)30)28-23(31)22-18(7-6-8-25-22)27(24(28)32)13-16-12-26(4)19-10-14(2)9-15(3)21(16)19/h6-10,12,17H,5,11,13H2,1-4H3,(H,29,30)/t17-/m1/s1
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n/an/a 0.400n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50332961
PNG
((3S,4S)-3-Benzyl-4-(4-methylpiperazincarbonyl)phen...)
Show SMILES C[C@@H](NC(=O)N1[C@H](Oc2ccc(cc2)N2CCN(C)CC2)[C@H](Cc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C30H34N4O3/c1-22(24-11-7-4-8-12-24)31-30(36)34-28(35)27(21-23-9-5-3-6-10-23)29(34)37-26-15-13-25(14-16-26)33-19-17-32(2)18-20-33/h3-16,22,27,29H,17-21H2,1-2H3,(H,31,36)/t22-,27-,29-/m1/s1
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Article
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n/an/a 0.460n/an/an/an/an/an/a



Barkatullah University

Curated by ChEMBL


Assay Description
Inhibition of human Chymase


Eur J Med Chem 45: 5541-60 (2010)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100335
PNG
(US8501749, 35)
Show SMILES Cc1cc(C)c2c(Cn3c4cccnc4c(=O)n(C(CC(O)=O)C4CC4)c3=O)cn(C)c2c1
Show InChI InChI=1S/C25H26N4O4/c1-14-9-15(2)22-17(12-27(3)20(22)10-14)13-28-18-5-4-8-26-23(18)24(32)29(25(28)33)19(11-21(30)31)16-6-7-16/h4-5,8-10,12,16,19H,6-7,11,13H2,1-3H3,(H,30,31)
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n/an/a 0.700n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100338
PNG
(US8501749, 38)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cc(C)cc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C24H26N4O4/c1-5-17(10-21(29)30)28-23(31)18-11-25-7-6-19(18)27(24(28)32)13-16-12-26(4)20-9-14(2)8-15(3)22(16)20/h6-9,11-12,17H,5,10,13H2,1-4H3,(H,29,30)/t17-/m1/s1
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n/an/a 0.700n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50101136
PNG
(1,3-Bis-benzo[1,3]dioxol-5-ylmethyl-[1,3]diazetidi...)
Show SMILES O=C1N(Cc2ccc3OCOc3c2)C(=O)N1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C18H14N2O6/c21-17-19(7-11-1-3-13-15(5-11)25-9-23-13)18(22)20(17)8-12-2-4-14-16(6-12)26-10-24-14/h1-6H,7-10H2
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n/an/a 0.850n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against human Serine protease chymase


Bioorg Med Chem Lett 11: 1691-4 (2001)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100324
PNG
(US8501749, 24)
Show SMILES CCCC[C@H](C(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C24H26N4O4/c1-4-5-8-20(23(30)31)28-22(29)17-12-25-11-10-18(17)27(24(28)32)14-16-13-26(3)19-9-6-7-15(2)21(16)19/h6-7,9-13,20H,4-5,8,14H2,1-3H3,(H,30,31)/t20-/m1/s1
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n/an/a 0.900n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)

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
Show InChI InChI=1/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-/s2
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n/an/a 1n/an/an/an/an/an/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)

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
Show InChI InChI=1/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-/s2
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n/an/a 1n/an/an/an/an/an/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)

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
Show InChI InChI=1/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?/s2
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n/an/a 1n/an/an/an/an/an/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)

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
Show InChI InChI=1/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-/s2
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n/an/a 1n/an/an/an/an/an/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)

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/an/an/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)

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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n/an/a 1n/an/an/an/an/an/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)

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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n/an/a 1n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100341
PNG
(US8501749, 41)
Show SMILES CCCC(CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C24H26N4O4/c1-4-7-17(12-20(29)30)28-23(31)22-19(10-6-11-25-22)27(24(28)32)14-16-13-26(3)18-9-5-8-15(2)21(16)18/h5-6,8-11,13,17H,4,7,12,14H2,1-3H3,(H,29,30)
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n/an/a 1.30n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100339
PNG
(US8501749, 39)
Show SMILES CCCCC(CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C25H28N4O4/c1-4-5-9-18(13-21(30)31)29-24(32)23-20(11-7-12-26-23)28(25(29)33)15-17-14-27(3)19-10-6-8-16(2)22(17)19/h6-8,10-12,14,18H,4-5,9,13,15H2,1-3H3,(H,30,31)
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n/an/a 1.40n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100330
PNG
(US8501749, 30)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C23H24N4O4/c1-4-16(11-19(28)29)27-22(30)21-18(9-6-10-24-21)26(23(27)31)13-15-12-25(3)17-8-5-7-14(2)20(15)17/h5-10,12,16H,4,11,13H2,1-3H3,(H,28,29)/t16-/m1/s1
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n/an/a 1.40n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)

More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM256092
PNG
(US9481672, 274)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(C2CCCc3c(Cl)cccc23)c1=O
Show InChI InChI=1/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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n/an/a 2n/an/an/an/an/an/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)

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=1/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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n/an/a 2n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50101135
PNG
(1,3-Bis-(4-methoxy-benzyl)-[1,3]diazetidine-2,4-di...)
Show SMILES COc1ccc(CN2C(=O)N(Cc3ccc(OC)cc3)C2=O)cc1
Show InChI InChI=1S/C18H18N2O4/c1-23-15-7-3-13(4-8-15)11-19-17(21)20(18(19)22)12-14-5-9-16(24-2)10-6-14/h3-10H,11-12H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against human Serine protease chymase


Bioorg Med Chem Lett 11: 1691-4 (2001)

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
Show InChI InChI=1/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-/s2
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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 US9481672 (2016)

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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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)

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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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)

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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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)

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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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)

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
Show InChI InChI=1/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-/s2
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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)

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
Show InChI InChI=1/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-/s2
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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)

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
Show InChI InChI=1/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-/s2
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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)

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
Show InChI InChI=1/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-/s2
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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)

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
Show InChI InChI=1/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-/s2
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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)

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
Show InChI InChI=1/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-/s2
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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)

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
Show InChI InChI=1/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-/s2
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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)

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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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)

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)
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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)

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
Show InChI InChI=1/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-/s2
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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)

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
Show InChI InChI=1/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-/s2
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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)

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)

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)

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)

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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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)

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)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100320
PNG
(US8501749, 20)
Show SMILES CCC[C@@H](C(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C23H24N4O4/c1-4-6-19(22(29)30)27-21(28)16-11-24-10-9-17(16)26(23(27)31)13-15-12-25(3)18-8-5-7-14(2)20(15)18/h5,7-12,19H,4,6,13H2,1-3H3,(H,29,30)/t19-/m0/s1
PDB
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n/an/a 2.10n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100331
PNG
(US8501749, 31)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C22H22N4O4S/c1-4-14(10-18(27)28)26-21(29)20-16(6-5-7-23-20)25(22(26)30)11-15-19-13(3)8-12(2)9-17(19)31-24-15/h5-9,14H,4,10-11H2,1-3H3,(H,27,28)/t14-/m1/s1
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n/an/a 2.20n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50101137
PNG
(1,3-Bis-(3-methoxy-benzyl)-[1,3]diazetidine-2,4-di...)
Show SMILES COc1cccc(CN2C(=O)N(Cc3cccc(OC)c3)C2=O)c1
Show InChI InChI=1S/C18H18N2O4/c1-23-15-7-3-5-13(9-15)11-19-17(21)20(18(19)22)12-14-6-4-8-16(10-14)24-2/h3-10H,11-12H2,1-2H3
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n/an/a 2.30n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against human Serine protease chymase


Bioorg Med Chem Lett 11: 1691-4 (2001)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100325
PNG
(US8501749, 25)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C23H24N4O4/c1-4-16(10-20(28)29)27-22(30)17-11-24-9-8-18(17)26(23(27)31)13-15-12-25(3)19-7-5-6-14(2)21(15)19/h5-9,11-12,16H,4,10,13H2,1-3H3,(H,28,29)/t16-/m1/s1
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n/an/a 2.5n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100318
PNG
(US8501749, 18)
Show SMILES CCCC[C@H](C(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C23H24N4O4S/c1-4-5-6-18(22(29)30)27-21(28)15-11-24-8-7-17(15)26(23(27)31)12-16-20-14(3)9-13(2)10-19(20)32-25-16/h7-11,18H,4-6,12H2,1-3H3,(H,29,30)/t18-/m1/s1
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n/an/a 2.60n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100334
PNG
(US8501749, 34)
Show SMILES CC[C@H](C(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2ccncc2c1=O
Show InChI InChI=1S/C21H20N4O4S/c1-4-15(20(27)28)25-19(26)13-9-22-6-5-16(13)24(21(25)29)10-14-18-12(3)7-11(2)8-17(18)30-23-14/h5-9,15H,4,10H2,1-3H3,(H,27,28)/t15-/m1/s1
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n/an/a 2.60n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)

More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100337
PNG
(US8501749, 37)
Show SMILES CC[C@@H](C(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C21H20N4O4S/c1-4-14(20(27)28)25-19(26)18-15(6-5-7-22-18)24(21(25)29)10-13-17-12(3)8-11(2)9-16(17)30-23-13/h5-9,14H,4,10H2,1-3H3,(H,27,28)/t14-/m0/s1
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n/an/a 2.70n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)

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=1/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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n/an/a 3n/an/an/an/an/an/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)

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
Show InChI InChI=1/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-/s2
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n/an/a 3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
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