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Compile Data Set for Download or QSAR

Found 3433 hits of ic50 for Trypsin
having polymerids = 1529,177,50000341,50000400,50000637,5023,5363,5526,8152 and
complexids = 50000517   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trypsin


(Bos taurus (bovine))
BDBM50120225
PNG
(2-{[2-(4-Guanidino-butyrylamino)-3-(4-nitro-phenyl...)
Show SMILES CC(O)C(N(C)C(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(=O)NC(C)c1ccccc1
Show InChI InChI=1S/C27H37N7O6/c1-17(20-8-5-4-6-9-20)31-25(37)24(18(2)35)33(3)26(38)22(32-23(36)10-7-15-30-27(28)29)16-19-11-13-21(14-12-19)34(39)40/h4-6,8-9,11-14,17-18,22,24,35H,7,10,15-16H2,1-3H3,(H6,28,29,30,31,32,36,37)
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n/an/a 0.00800n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Trypsin was determined


Bioorg Med Chem Lett 12: 3183-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00651-0
BindingDB Entry DOI: 10.7270/Q20P0ZBK
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50072292
PNG
((3S,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Sc1ccccc1
Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12-/m0/s1
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n/an/a 0.0200n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50096484
PNG
((4S,6R)-6-Allyl-4-(naphthalene-2-sulfonyl)-5-oxo-h...)
Show SMILES C=CC[C@@H]1[C@@H]2[C@H](CCN2C(=O)OCc2ccccc2)N(C1=O)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H26N2O5S/c1-2-8-23-25-24(15-16-28(25)27(31)34-18-19-9-4-3-5-10-19)29(26(23)30)35(32,33)22-14-13-20-11-6-7-12-21(20)17-22/h2-7,9-14,17,23-25H,1,8,15-16,18H2/t23-,24+,25-/m1/s1
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n/an/a 0.0360n/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE)


Bioorg Med Chem Lett 11: 243-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00632-6
BindingDB Entry DOI: 10.7270/Q2K074SH
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50228863
PNG
((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16-,17+,18-/m0/s1
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n/an/a 0.0450n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Trypsin was determined


Bioorg Med Chem Lett 12: 3183-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00651-0
BindingDB Entry DOI: 10.7270/Q20P0ZBK
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50066997
PNG
((3aS,6R)-6-Allyl-4-methanesulfonyl-5-oxo-hexahydro...)
Show SMILES CS(=O)(=O)N1[C@H]2CCN([C@@H]2[C@@H](CC=C)C1=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O5S/c1-3-7-14-16-15(20(17(14)21)26(2,23)24)10-11-19(16)18(22)25-12-13-8-5-4-6-9-13/h3-6,8-9,14-16H,1,7,10-12H2,2H3/t14-,15+,16-/m1/s1
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n/an/a 0.0470n/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE)


Bioorg Med Chem Lett 11: 243-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00632-6
BindingDB Entry DOI: 10.7270/Q2K074SH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058495
PNG
(3-{2-[2-(Thiophene-2-carbonylsulfanyl)-propionylam...)
Show SMILES CC(SC(=O)c1cccs1)C(=O)NCC(=O)N1CSCC1C(O)=O
Show InChI InChI=1S/C14H16N2O5S3/c1-8(24-14(21)10-3-2-4-23-10)12(18)15-5-11(17)16-7-22-6-9(16)13(19)20/h2-4,8-9H,5-7H2,1H3,(H,15,18)(H,19,20)
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n/an/a 0.100n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Leukocyte Elastase from human sputum


J Med Chem 40: 1906-18 (1997)


Article DOI: 10.1021/jm960772z
BindingDB Entry DOI: 10.7270/Q2MS3RW1
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50072285
PNG
((3R,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...)
Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@H]1Sc1ccccc1
Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12+/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193350
PNG
(US9199927, 61)
Show SMILES CN(C(=O)N(CC(O)=O)Cc1cccc(c1)C(O)=O)c1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1Cl
Show InChI InChI=1S/C26H24ClN5O7/c1-31(26(38)32(14-22(33)34)13-15-3-2-4-17(11-15)23(35)36)21-10-9-19(12-20(21)27)39-24(37)16-5-7-18(8-6-16)30-25(28)29/h2-12H,13-14H2,1H3,(H,33,34)(H,35,36)(H4,28,29,30)
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n/an/a 0.140n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193349
PNG
(US9199927, 108 | US9199927, 60)
Show SMILES CC(C(=O)N(CC(O)=O)Cc1cccc(c1)C(O)=O)c1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1Cl
Show InChI InChI=1S/C27H25ClN4O7/c1-15(24(35)32(14-23(33)34)13-16-3-2-4-18(11-16)25(36)37)21-10-9-20(12-22(21)28)39-26(38)17-5-7-19(8-6-17)31-27(29)30/h2-12,15H,13-14H2,1H3,(H,33,34)(H,36,37)(H4,29,30,31)
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n/an/a 0.140n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193310
PNG
(US9199927, 21)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)NC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C26H21N5O5/c27-26(28)29-18-9-6-16(7-10-18)25(35)36-19-11-13-20-17(14-19)8-12-21(30-20)23(32)31-22(24(33)34)15-4-2-1-3-5-15/h1-14,22H,(H,31,32)(H,33,34)(H4,27,28,29)
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n/an/a 0.170n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193290
PNG
(US9199927, 1)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H23ClN4O6/c26-20-13-19(36-24(35)15-3-6-17(7-4-15)29-25(27)28)10-5-16(20)12-22(32)30-21(23(33)34)11-14-1-8-18(31)9-2-14/h1-10,13,21,31H,11-12H2,(H,30,32)(H,33,34)(H4,27,28,29)/t21-/m0/s1
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n/an/a 0.170n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193351
PNG
(US9199927, 62)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CCC(=O)N(CC(O)=O)Cc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C26H25ClN4O5/c27-22-14-21(36-25(35)19-6-10-20(11-7-19)30-26(28)29)12-8-18(22)9-13-23(32)31(16-24(33)34)15-17-4-2-1-3-5-17/h1-8,10-12,14H,9,13,15-16H2,(H,33,34)(H4,28,29,30)
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n/an/a 0.170n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193317
PNG
(US9199927, 28)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)NC(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C27H23N5O5/c28-27(29)30-19-9-6-17(7-10-19)26(36)37-20-11-13-21-18(14-20)8-12-22(31-21)25(35)32-23(15-24(33)34)16-4-2-1-3-5-16/h1-14,23H,15H2,(H,32,35)(H,33,34)(H4,28,29,30)
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n/an/a 0.170n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193313
PNG
(US9199927, 24)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1cc(F)c(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(F)c1
Show InChI InChI=1S/C25H22F2N4O5/c26-19-11-17(36-24(35)15-6-8-16(9-7-15)30-25(28)29)12-20(27)18(19)13-22(32)31-21(23(33)34)10-14-4-2-1-3-5-14/h1-9,11-12,21H,10,13H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/m0/s1
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n/an/a 0.170n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193360
PNG
(US9199927, 71)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)N[C@H](Cc1ccc(OCC(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C29H25N5O8/c30-29(31)32-19-6-3-17(4-7-19)28(40)42-21-10-12-22-18(14-21)5-11-23(33-22)26(37)34-24(27(38)39)13-16-1-8-20(9-2-16)41-15-25(35)36/h1-12,14,24H,13,15H2,(H,34,37)(H,35,36)(H,38,39)(H4,30,31,32)/t24-/m1/s1
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n/an/a 0.180n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193315
PNG
(US9199927, 26)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C25H22Cl2N4O5/c26-21-16(13-20(32)31-18(23(33)34)12-14-4-2-1-3-5-14)8-11-19(22(21)27)36-24(35)15-6-9-17(10-7-15)30-25(28)29/h1-11,18H,12-13H2,(H,31,32)(H,33,34)(H4,28,29,30)/t18-/m0/s1
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n/an/a 0.180n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193304
PNG
(US9199927, 15)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H22Cl2N4O5/c26-17-6-1-14(2-7-17)11-21(23(33)34)31-22(32)12-16-5-10-19(13-20(16)27)36-24(35)15-3-8-18(9-4-15)30-25(28)29/h1-10,13,21H,11-12H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/m0/s1
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n/an/a 0.190n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193319
PNG
(US9199927, 30)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2cccc(F)c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H22ClFN4O5/c26-20-13-19(36-24(35)15-4-7-18(8-5-15)30-25(28)29)9-6-16(20)12-22(32)31-21(23(33)34)11-14-2-1-3-17(27)10-14/h1-10,13,21H,11-12H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/m0/s1
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n/an/a 0.190n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193290
PNG
(US9199927, 1)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H23ClN4O6/c26-20-13-19(36-24(35)15-3-6-17(7-4-15)29-25(27)28)10-5-16(20)12-22(32)30-21(23(33)34)11-14-1-8-18(31)9-2-14/h1-10,13,21,31H,11-12H2,(H,30,32)(H,33,34)(H4,27,28,29)/t21-/m0/s1
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n/an/a 0.190n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193349
PNG
(US9199927, 108 | US9199927, 60)
Show SMILES CC(C(=O)N(CC(O)=O)Cc1cccc(c1)C(O)=O)c1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1Cl
Show InChI InChI=1S/C27H25ClN4O7/c1-15(24(35)32(14-23(33)34)13-16-3-2-4-18(11-16)25(36)37)21-10-9-20(12-22(21)28)39-26(38)17-5-7-19(8-6-17)31-27(29)30/h2-12,15H,13-14H2,1H3,(H,33,34)(H,36,37)(H4,29,30,31)
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n/an/a 0.190n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193316
PNG
(US9199927, 27)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1cc(Cl)c(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H22Cl2N4O5/c26-19-11-17(36-24(35)15-6-8-16(9-7-15)30-25(28)29)12-20(27)18(19)13-22(32)31-21(23(33)34)10-14-4-2-1-3-5-14/h1-9,11-12,21H,10,13H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/m0/s1
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n/an/a 0.190n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193311
PNG
(US9199927, 22)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)Nc1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C26H21N5O5/c27-26(28)30-19-8-3-16(4-9-19)25(35)36-20-10-12-21-17(14-20)5-11-22(31-21)24(34)29-18-6-1-15(2-7-18)13-23(32)33/h1-12,14H,13H2,(H,29,34)(H,32,33)(H4,27,28,30)
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n/an/a 0.200n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193304
PNG
(US9199927, 15)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H22Cl2N4O5/c26-17-6-1-14(2-7-17)11-21(23(33)34)31-22(32)12-16-5-10-19(13-20(16)27)36-24(35)15-3-8-18(9-4-15)30-25(28)29/h1-10,13,21H,11-12H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/m0/s1
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n/an/a 0.200n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193369
PNG
(US9199927, 80)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)N(CC(O)=O)Cc1csc(c1)C(O)=O
Show InChI InChI=1S/C26H21N5O7S/c27-26(28)29-17-4-1-15(2-5-17)25(37)38-18-6-8-19-16(10-18)3-7-20(30-19)23(34)31(12-22(32)33)11-14-9-21(24(35)36)39-13-14/h1-10,13H,11-12H2,(H,32,33)(H,35,36)(H4,27,28,29)
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n/an/a 0.210n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193313
PNG
(US9199927, 24)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1cc(F)c(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(F)c1
Show InChI InChI=1S/C25H22F2N4O5/c26-19-11-17(36-24(35)15-6-8-16(9-7-15)30-25(28)29)12-20(27)18(19)13-22(32)31-21(23(33)34)10-14-4-2-1-3-5-14/h1-9,11-12,21H,10,13H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/m0/s1
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n/an/a 0.210n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193349
PNG
(US9199927, 108 | US9199927, 60)
Show SMILES CC(C(=O)N(CC(O)=O)Cc1cccc(c1)C(O)=O)c1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1Cl
Show InChI InChI=1S/C27H25ClN4O7/c1-15(24(35)32(14-23(33)34)13-16-3-2-4-18(11-16)25(36)37)21-10-9-20(12-22(21)28)39-26(38)17-5-7-19(8-6-17)31-27(29)30/h2-12,15H,13-14H2,1H3,(H,33,34)(H,36,37)(H4,29,30,31)
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n/an/a 0.210n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193349
PNG
(US9199927, 108 | US9199927, 60)
Show SMILES CC(C(=O)N(CC(O)=O)Cc1cccc(c1)C(O)=O)c1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1Cl
Show InChI InChI=1S/C27H25ClN4O7/c1-15(24(35)32(14-23(33)34)13-16-3-2-4-18(11-16)25(36)37)21-10-9-20(12-22(21)28)39-26(38)17-5-7-19(8-6-17)31-27(29)30/h2-12,15H,13-14H2,1H3,(H,33,34)(H,36,37)(H4,29,30,31)
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n/an/a 0.210n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193318
PNG
(US9199927, 29)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccccc2F)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H22ClFN4O5/c26-19-13-18(36-24(35)14-5-8-17(9-6-14)30-25(28)29)10-7-15(19)12-22(32)31-21(23(33)34)11-16-3-1-2-4-20(16)27/h1-10,13,21H,11-12H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/m0/s1
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n/an/a 0.210n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50120428
PNG
(CHEMBL3617966)
Show SMILES CNC(=O)c1cc(-c2ccnn2-c2ccc(cc2)C#N)c(C)n(-c2cccc(c2)C(F)(F)F)c1=O
Show InChI InChI=1S/C25H18F3N5O2/c1-15-20(22-10-11-31-33(22)18-8-6-16(14-29)7-9-18)13-21(23(34)30-2)24(35)32(15)19-5-3-4-17(12-19)25(26,27)28/h3-13H,1-2H3,(H,30,34)
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PubMed
n/an/a 0.210n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase


Bioorg Med Chem Lett 25: 4370-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.049
BindingDB Entry DOI: 10.7270/Q29Z96PX
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193303
PNG
(US9199927, 14)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H22ClFN4O5/c26-20-13-19(36-24(35)15-3-8-18(9-4-15)30-25(28)29)10-5-16(20)12-22(32)31-21(23(33)34)11-14-1-6-17(27)7-2-14/h1-10,13,21H,11-12H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/m0/s1
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n/an/a 0.220n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193414
PNG
(US9199927, 96)
Show SMILES CC(C)(Oc1ccc(C[C@H](NC(=O)CCc2ccc(OC(=O)c3ccc(NC(N)=N)cc3)cc2Cl)C(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C30H31ClN4O8/c1-30(2,28(40)41)43-21-11-3-17(4-12-21)15-24(26(37)38)35-25(36)14-8-18-7-13-22(16-23(18)31)42-27(39)19-5-9-20(10-6-19)34-29(32)33/h3-7,9-13,16,24H,8,14-15H2,1-2H3,(H,35,36)(H,37,38)(H,40,41)(H4,32,33,34)/t24-/m0/s1
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n/an/a 0.220n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193305
PNG
(US9199927, 16)
Show SMILES COc1ccc(C[C@H](NC(=O)Cc2ccc(OC(=O)c3ccc(NC(N)=N)cc3)cc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C26H25ClN4O6/c1-36-19-9-2-15(3-10-19)12-22(24(33)34)31-23(32)13-17-6-11-20(14-21(17)27)37-25(35)16-4-7-18(8-5-16)30-26(28)29/h2-11,14,22H,12-13H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t22-/m0/s1
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n/an/a 0.230n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193350
PNG
(US9199927, 61)
Show SMILES CN(C(=O)N(CC(O)=O)Cc1cccc(c1)C(O)=O)c1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1Cl
Show InChI InChI=1S/C26H24ClN5O7/c1-31(26(38)32(14-22(33)34)13-15-3-2-4-17(11-15)23(35)36)21-10-9-19(12-20(21)27)39-24(37)16-5-7-18(8-6-16)30-25(28)29/h2-12H,13-14H2,1H3,(H,33,34)(H,35,36)(H4,28,29,30)
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n/an/a 0.230n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193360
PNG
(US9199927, 71)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)N[C@H](Cc1ccc(OCC(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C29H25N5O8/c30-29(31)32-19-6-3-17(4-7-19)28(40)42-21-10-12-22-18(14-21)5-11-23(33-22)26(37)34-24(27(38)39)13-16-1-8-20(9-2-16)41-15-25(35)36/h1-12,14,24H,13,15H2,(H,34,37)(H,35,36)(H,38,39)(H4,30,31,32)/t24-/m1/s1
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n/an/a 0.230n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193303
PNG
(US9199927, 14)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H22ClFN4O5/c26-20-13-19(36-24(35)15-3-8-18(9-4-15)30-25(28)29)10-5-16(20)12-22(32)31-21(23(33)34)11-14-1-6-17(27)7-2-14/h1-10,13,21H,11-12H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/m0/s1
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n/an/a 0.230n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193323
PNG
(US9199927, 34)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(c1)C1CC1
Show InChI InChI=1S/C28H28N4O5/c29-28(30)31-21-11-8-19(9-12-21)27(36)37-22-13-10-20(23(16-22)18-6-7-18)15-25(33)32-24(26(34)35)14-17-4-2-1-3-5-17/h1-5,8-13,16,18,24H,6-7,14-15H2,(H,32,33)(H,34,35)(H4,29,30,31)/t24-/m0/s1
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n/an/a 0.240n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193317
PNG
(US9199927, 28)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)NC(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C27H23N5O5/c28-27(29)30-19-9-6-17(7-10-19)26(36)37-20-11-13-21-18(14-20)8-12-22(31-21)25(35)32-23(15-24(33)34)16-4-2-1-3-5-16/h1-14,23H,15H2,(H,32,35)(H,33,34)(H4,28,29,30)
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n/an/a 0.240n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193395
PNG
(US9199927, 113)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)N(CC(O)=O)Cc1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C29H25N5O7/c30-29(31)32-21-8-5-19(6-9-21)28(40)41-22-10-12-23-20(14-22)7-11-24(33-23)27(39)34(16-26(37)38)15-18-3-1-17(2-4-18)13-25(35)36/h1-12,14H,13,15-16H2,(H,35,36)(H,37,38)(H4,30,31,32)
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n/an/a 0.240n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193314
PNG
(US9199927, 25)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O5/c27-26(28,29)20-14-19(38-24(37)16-6-9-18(10-7-16)32-25(30)31)11-8-17(20)13-22(34)33-21(23(35)36)12-15-4-2-1-3-5-15/h1-11,14,21H,12-13H2,(H,33,34)(H,35,36)(H4,30,31,32)/t21-/m0/s1
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n/an/a 0.25n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193316
PNG
(US9199927, 27)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1cc(Cl)c(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H22Cl2N4O5/c26-19-11-17(36-24(35)15-6-8-16(9-7-15)30-25(28)29)12-20(27)18(19)13-22(32)31-21(23(33)34)10-14-4-2-1-3-5-14/h1-9,11-12,21H,10,13H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/m0/s1
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n/an/a 0.260n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193305
PNG
(US9199927, 16)
Show SMILES COc1ccc(C[C@H](NC(=O)Cc2ccc(OC(=O)c3ccc(NC(N)=N)cc3)cc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C26H25ClN4O6/c1-36-19-9-2-15(3-10-19)12-22(24(33)34)31-23(32)13-17-6-11-20(14-21(17)27)37-25(35)16-4-7-18(8-5-16)30-26(28)29/h2-11,14,22H,12-13H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t22-/m0/s1
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n/an/a 0.260n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193319
PNG
(US9199927, 30)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2cccc(F)c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H22ClFN4O5/c26-20-13-19(36-24(35)15-4-7-18(8-5-15)30-25(28)29)9-6-16(20)12-22(32)31-21(23(33)34)11-14-2-1-3-17(27)10-14/h1-10,13,21H,11-12H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/m0/s1
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n/an/a 0.260n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193310
PNG
(US9199927, 21)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)NC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C26H21N5O5/c27-26(28)29-18-9-6-16(7-10-18)25(35)36-19-11-13-20-17(14-19)8-12-21(30-20)23(32)31-22(24(33)34)15-4-2-1-3-5-15/h1-14,22H,(H,31,32)(H,33,34)(H4,27,28,29)
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n/an/a 0.260n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193348
PNG
(US9199927, 59)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)N(CC(O)=O)Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C28H23N5O7/c29-28(30)31-20-7-4-17(5-8-20)27(39)40-21-9-11-22-18(13-21)6-10-23(32-22)25(36)33(15-24(34)35)14-16-2-1-3-19(12-16)26(37)38/h1-13H,14-15H2,(H,34,35)(H,37,38)(H4,29,30,31)
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n/an/a 0.270n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193306
PNG
(US9199927, 17)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(c1)-c1ccccc1
Show InChI InChI=1S/C31H28N4O5/c32-31(33)34-24-14-11-22(12-15-24)30(39)40-25-16-13-23(26(19-25)21-9-5-2-6-10-21)18-28(36)35-27(29(37)38)17-20-7-3-1-4-8-20/h1-16,19,27H,17-18H2,(H,35,36)(H,37,38)(H4,32,33,34)/t27-/m0/s1
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n/an/a 0.270n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193324
PNG
(US9199927, 35)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N(CCc2ccccc2)CC(O)=O)c(Cl)c1
Show InChI InChI=1S/C26H25ClN4O5/c27-22-15-21(36-25(35)18-6-9-20(10-7-18)30-26(28)29)11-8-19(22)14-23(32)31(16-24(33)34)13-12-17-4-2-1-3-5-17/h1-11,15H,12-14,16H2,(H,33,34)(H4,28,29,30)
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n/an/a 0.280n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193312
PNG
(US9199927, 23)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CCC(=O)N[C@H](CC(O)=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C26H25ClN4O5/c27-21-14-20(36-25(35)18-6-10-19(11-7-18)30-26(28)29)12-8-16(21)9-13-23(32)31-22(15-24(33)34)17-4-2-1-3-5-17/h1-8,10-12,14,22H,9,13,15H2,(H,31,32)(H,33,34)(H4,28,29,30)/t22-/m1/s1
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n/an/a 0.280n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin


(Mus musculus (Mouse))
BDBM193395
PNG
(US9199927, 113)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)N(CC(O)=O)Cc1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C29H25N5O7/c30-29(31)32-21-8-5-19(6-9-21)28(40)41-22-10-12-23-20(14-22)7-11-24(33-23)27(39)34(16-26(37)38)15-18-3-1-17(2-4-18)13-25(35)36/h1-12,14H,13,15-16H2,(H,35,36)(H,37,38)(H4,30,31,32)
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n/an/a 0.280n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193315
PNG
(US9199927, 26)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C25H22Cl2N4O5/c26-21-16(13-20(32)31-18(23(33)34)12-14-4-2-1-3-5-14)8-11-19(22(21)27)36-24(35)15-6-9-17(10-7-15)30-25(28)29/h1-11,18H,12-13H2,(H,31,32)(H,33,34)(H4,28,29,30)/t18-/m0/s1
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n/an/a 0.290n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM193314
PNG
(US9199927, 25)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O5/c27-26(28,29)20-14-19(38-24(37)16-6-9-18(10-7-16)32-25(30)31)11-8-17(20)13-22(34)33-21(23(35)36)12-15-4-2-1-3-5-15/h1-11,14,21H,12-13H2,(H,33,34)(H,35,36)(H4,30,31,32)/t21-/m0/s1
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n/an/a 0.290n/an/an/an/a8.025



Astellas Pharma Inc.

US Patent


Assay Description
The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...


US Patent US9199927 (2015)


BindingDB Entry DOI: 10.7270/Q2P26WXN
More data for this
Ligand-Target Pair
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