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Compile Data Set for Download or QSAR

Found 167 hits of affinity data for UniProtKB/TrEMBL: Q29463   
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
Trypsin II


(Bos taurus)
BDBM50060055
PNG
(4-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES COC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H29N5O5S/c1-36-26(33)31-13-11-30(12-14-31)25(32)23(16-18-5-4-8-21(15-18)24(27)28)29-37(34,35)22-10-9-19-6-2-3-7-20(19)17-22/h2-10,15,17,23,29H,11-14,16H2,1H3,(H3,27,28)
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20n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060016
PNG
(4-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H31N5O5S/c1-2-37-27(34)32-14-12-31(13-15-32)26(33)24(17-19-6-5-9-22(16-19)25(28)29)30-38(35,36)23-11-10-20-7-3-4-8-21(20)18-23/h3-11,16,18,24,30H,2,12-15,17H2,1H3,(H3,28,29)
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22n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060047
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-(4-phen...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C30H31N5O3S/c31-29(32)25-10-6-7-22(19-25)20-28(30(36)35-17-15-34(16-18-35)26-11-2-1-3-12-26)33-39(37,38)27-14-13-23-8-4-5-9-24(23)21-27/h1-14,19,21,28,33H,15-18,20H2,(H3,31,32)
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27n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060022
PNG
(4-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)Oc2ccccc2)c1
Show InChI InChI=1S/C31H31N5O5S/c32-29(33)25-10-6-7-22(19-25)20-28(34-42(39,40)27-14-13-23-8-4-5-9-24(23)21-27)30(37)35-15-17-36(18-16-35)31(38)41-26-11-2-1-3-12-26/h1-14,19,21,28,34H,15-18,20H2,(H3,32,33)
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28n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060029
PNG
(3-[(R)-3-(4-Acetyl-piperazin-1-yl)-2-(naphthalene-...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H29N5O4S/c1-18(32)30-11-13-31(14-12-30)26(33)24(16-19-5-4-8-22(15-19)25(27)28)29-36(34,35)23-10-9-20-6-2-3-7-21(20)17-23/h2-10,15,17,24,29H,11-14,16H2,1H3,(H3,27,28)/t24-/m1/s1
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44n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060026
PNG
(3-[3-(4-Butyryl-piperazin-1-yl)-2-(naphthalene-2-s...)
Show SMILES CCCC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H33N5O4S/c1-2-6-26(34)32-13-15-33(16-14-32)28(35)25(18-20-7-5-10-23(17-20)27(29)30)31-38(36,37)24-12-11-21-8-3-4-9-22(21)19-24/h3-5,7-12,17,19,25,31H,2,6,13-16,18H2,1H3,(H3,29,30)
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49n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060041
PNG
(3-[3-(4-Hexanoyl-piperazin-1-yl)-2-(naphthalene-2-...)
Show SMILES CCCCCC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H37N5O4S/c1-2-3-4-12-28(36)34-15-17-35(18-16-34)30(37)27(20-22-8-7-11-25(19-22)29(31)32)33-40(38,39)26-14-13-23-9-5-6-10-24(23)21-26/h5-11,13-14,19,21,27,33H,2-4,12,15-18,20H2,1H3,(H3,31,32)
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64n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060017
PNG
(3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-2-(nap...)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H29N5O5S2/c1-36(32,33)30-13-11-29(12-14-30)25(31)23(16-18-5-4-8-21(15-18)24(26)27)28-37(34,35)22-10-9-19-6-2-3-7-20(19)17-22/h2-10,15,17,23,28H,11-14,16H2,1H3,(H3,26,27)/t23-/m1/s1
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67n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060021
PNG
(3-[3-(4-Cyclohexanecarbonyl-piperazin-1-yl)-2-(nap...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)C2CCCCC2)c1
Show InChI InChI=1S/C31H37N5O4S/c32-29(33)26-12-6-7-22(19-26)20-28(34-41(39,40)27-14-13-23-8-4-5-11-25(23)21-27)31(38)36-17-15-35(16-18-36)30(37)24-9-2-1-3-10-24/h4-8,11-14,19,21,24,28,34H,1-3,9-10,15-18,20H2,(H3,32,33)
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72n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060023
PNG
(3-[(R)-3-(4-Formyl-piperazin-1-yl)-2-(naphthalene-...)
Show SMILES NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C=O)c1
Show InChI InChI=1S/C25H27N5O4S/c26-24(27)21-7-3-4-18(14-21)15-23(25(32)30-12-10-29(17-31)11-13-30)28-35(33,34)22-9-8-19-5-1-2-6-20(19)16-22/h1-9,14,16-17,23,28H,10-13,15H2,(H3,26,27)/t23-/m1/s1
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73n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50080479
PNG
(CHEMBL117156 | N-(3-Carbamimidoyl-benzyl)-2-(napht...)
Show SMILES NC(=N)c1cccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)c1
Show InChI InChI=1S/C20H20N4O3S/c21-20(22)17-7-3-4-14(10-17)12-23-19(25)13-24-28(26,27)18-9-8-15-5-1-2-6-16(15)11-18/h1-11,24H,12-13H2,(H3,21,22)(H,23,25)
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80n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic trypsin


J Med Chem 42: 3557-71 (1999)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060035
PNG
(4-[(R)-3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2...)
Show SMILES CN(C)C(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H32N6O4S/c1-31(2)27(35)33-14-12-32(13-15-33)26(34)24(17-19-6-5-9-22(16-19)25(28)29)30-38(36,37)23-11-10-20-7-3-4-8-21(20)18-23/h3-11,16,18,24,30H,12-15,17H2,1-2H3,(H3,28,29)/t24-/m1/s1
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97n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082194
PNG
(4-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES COC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C31H45N5O5S/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)42(39,40)34-27(16-22-9-8-10-23(15-22)29(32)33)30(37)35-11-13-36(14-12-35)31(38)41-7/h8-10,15,17-21,27,34H,11-14,16H2,1-7H3,(H3,32,33)
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110n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Citation and Details
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM16175
PNG
(CHEMBL108468 | UKI-1 | ethyl 4-(3-carbamimidoyl-N-...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)
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120n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Citation and Details
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060033
PNG
(3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...)
Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O3S/c1-18-11-13-30(14-12-18)26(31)24(16-19-5-4-8-22(15-19)25(27)28)29-34(32,33)23-10-9-20-6-2-3-7-21(20)17-23/h2-10,15,17-18,24,29H,11-14,16H2,1H3,(H3,27,28)
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140n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060018
PNG
(3-[3-(4-Benzoyl-piperazin-1-yl)-2-(naphthalene-2-s...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C31H31N5O4S/c32-29(33)26-12-6-7-22(19-26)20-28(34-41(39,40)27-14-13-23-8-4-5-11-25(23)21-27)31(38)36-17-15-35(16-18-36)30(37)24-9-2-1-3-10-24/h1-14,19,21,28,34H,15-18,20H2,(H3,32,33)
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140n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060051
PNG
(3-[3-(4-Acetyl-piperazin-1-yl)-2-(naphthalene-2-su...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H29N5O4S/c1-18(32)30-11-13-31(14-12-30)26(33)24(16-19-5-4-8-22(15-19)25(27)28)29-36(34,35)23-10-9-20-6-2-3-7-21(20)17-23/h2-10,15,17,24,29H,11-14,16H2,1H3,(H3,27,28)
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140n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060027
PNG
(3-[2-(4-tert-Butyl-benzenesulfonylamino)-3-(4-meth...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H35N5O5S2/c1-25(2,3)20-8-10-21(11-9-20)37(34,35)28-22(17-18-6-5-7-19(16-18)23(26)27)24(31)29-12-14-30(15-13-29)36(4,32)33/h5-11,16,22,28H,12-15,17H2,1-4H3,(H3,26,27)
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160n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060056
PNG
(4-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES CN(C)C(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H32N6O4S/c1-31(2)27(35)33-14-12-32(13-15-33)26(34)24(17-19-6-5-9-22(16-19)25(28)29)30-38(36,37)23-11-10-20-7-3-4-8-21(20)18-23/h3-11,16,18,24,30H,12-15,17H2,1-2H3,(H3,28,29)
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170n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060044
PNG
(3-[3-[4-(Butane-1-sulfonyl)-piperazin-1-yl]-2-(nap...)
Show SMILES CCCCS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H35N5O5S2/c1-2-3-17-39(35,36)33-15-13-32(14-16-33)28(34)26(19-21-7-6-10-24(18-21)27(29)30)31-40(37,38)25-12-11-22-8-4-5-9-23(22)20-25/h4-12,18,20,26,31H,2-3,13-17,19H2,1H3,(H3,29,30)
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180n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060014
PNG
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-2-(naphtha...)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H29N5O5S2/c1-36(32,33)30-13-11-29(12-14-30)25(31)23(16-18-5-4-8-21(15-18)24(26)27)28-37(34,35)22-10-9-19-6-2-3-7-20(19)17-22/h2-10,15,17,23,28H,11-14,16H2,1H3,(H3,26,27)
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190n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060042
PNG
(3-[3-[4-(Naphthalene-2-carbonyl)-piperazin-1-yl]-2...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)c2ccc3ccccc3c2)c1
Show InChI InChI=1S/C35H33N5O4S/c36-33(37)29-11-5-6-24(20-29)21-32(38-45(43,44)31-15-14-26-8-2-4-10-28(26)23-31)35(42)40-18-16-39(17-19-40)34(41)30-13-12-25-7-1-3-9-27(25)22-30/h1-15,20,22-23,32,38H,16-19,21H2,(H3,36,37)
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190n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060037
PNG
(3-[3-(4-Ethanesulfonyl-piperazin-1-yl)-2-(naphthal...)
Show SMILES CCS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H31N5O5S2/c1-2-37(33,34)31-14-12-30(13-15-31)26(32)24(17-19-6-5-9-22(16-19)25(27)28)29-38(35,36)23-11-10-20-7-3-4-8-21(20)18-23/h3-11,16,18,24,29H,2,12-15,17H2,1H3,(H3,27,28)
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190n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060034
PNG
(3-{2-(Naphthalene-2-sulfonylamino)-3-oxo-3-[4-(pro...)
Show SMILES CCCS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H33N5O5S2/c1-2-16-38(34,35)32-14-12-31(13-15-32)27(33)25(18-20-6-5-9-23(17-20)26(28)29)30-39(36,37)24-11-10-21-7-3-4-8-22(21)19-24/h3-11,17,19,25,30H,2,12-16,18H2,1H3,(H3,28,29)
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210n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082175
PNG
(3-[3-Morpholin-4-yl-2-(naphthalene-2-sulfonylamino...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCOCC2)c1
Show InChI InChI=1S/C24H26N4O4S/c25-23(26)20-7-3-4-17(14-20)15-22(24(29)28-10-12-32-13-11-28)27-33(30,31)21-9-8-18-5-1-2-6-19(18)16-21/h1-9,14,16,22,27H,10-13,15H2,(H3,25,26)
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210n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Citation and Details
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060032
PNG
(3-[3-(4-Formyl-piperazin-1-yl)-2-(naphthalene-2-su...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C=O)c1
Show InChI InChI=1S/C25H27N5O4S/c26-24(27)21-7-3-4-18(14-21)15-23(25(32)30-12-10-29(17-31)11-13-30)28-35(33,34)22-9-8-19-5-1-2-6-20(19)16-22/h1-9,14,16-17,23,28H,10-13,15H2,(H3,26,27)
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220n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060043
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperaz...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCNCC2)c1
Show InChI InChI=1S/C24H27N5O3S/c25-23(26)20-7-3-4-17(14-20)15-22(24(30)29-12-10-27-11-13-29)28-33(31,32)21-9-8-18-5-1-2-6-19(18)16-21/h1-9,14,16,22,27-28H,10-13,15H2,(H3,25,26)
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220n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060046
PNG
(3-[(R)-2-[2-(7,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept...)
Show SMILES CC1(C)C2CCC1(CCS(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)C2
Show InChI InChI=1S/C26H39N5O6S2/c1-25(2)20-7-8-26(25,22(32)17-20)9-14-39(36,37)29-21(16-18-5-4-6-19(15-18)23(27)28)24(33)30-10-12-31(13-11-30)38(3,34)35/h4-6,15,20-21,29H,7-14,16-17H2,1-3H3,(H3,27,28)/t20?,21-,26?/m1/s1
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220n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060025
PNG
(3-{2-(Naphthalene-2-sulfonylamino)-3-oxo-3-[4-(tol...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C31H33N5O5S2/c1-22-9-12-27(13-10-22)43(40,41)36-17-15-35(16-18-36)31(37)29(20-23-5-4-8-26(19-23)30(32)33)34-42(38,39)28-14-11-24-6-2-3-7-25(24)21-28/h2-14,19,21,29,34H,15-18,20H2,1H3,(H3,32,33)
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220n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082193
PNG
(3-[3-(4-Acetyl-piperazin-1-yl)-3-oxo-2-(2,4,6-trii...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C31H45N5O4S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)41(39,40)34-28(16-23-9-8-10-24(15-23)30(32)33)31(38)36-13-11-35(12-14-36)22(7)37/h8-10,15,17-21,28,34H,11-14,16H2,1-7H3,(H3,32,33)
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220n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Citation and Details
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060054
PNG
(3-[2-[2-(7,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept-1-y...)
Show SMILES CC1(C)C2CCC1(CCS(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)C2
Show InChI InChI=1S/C26H39N5O6S2/c1-25(2)20-7-8-26(25,22(32)17-20)9-14-39(36,37)29-21(16-18-5-4-6-19(15-18)23(27)28)24(33)30-10-12-31(13-11-30)38(3,34)35/h4-6,15,20-21,29H,7-14,16-17H2,1-3H3,(H3,27,28)
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220n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060053
PNG
(4-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...)
Show SMILES CCN(CC)C(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C29H36N6O4S/c1-3-33(4-2)29(37)35-16-14-34(15-17-35)28(36)26(19-21-8-7-11-24(18-21)27(30)31)32-40(38,39)25-13-12-22-9-5-6-10-23(22)20-25/h5-13,18,20,26,32H,3-4,14-17,19H2,1-2H3,(H3,30,31)
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220n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060043
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperaz...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCNCC2)c1
Show InChI InChI=1S/C24H27N5O3S/c25-23(26)20-7-3-4-17(14-20)15-22(24(30)29-12-10-27-11-13-29)28-33(31,32)21-9-8-18-5-1-2-6-19(18)16-21/h1-9,14,16,22,27-28H,10-13,15H2,(H3,25,26)
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220n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Citation and Details
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082190
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES COC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H46N4O5S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)42(39,40)35-28(16-22-9-8-10-24(15-22)30(33)34)31(37)36-13-11-23(12-14-36)32(38)41-7/h8-10,15,17-21,23,28,35H,11-14,16H2,1-7H3,(H3,33,34)
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270n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Citation and Details
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060019
PNG
(3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-...)
Show SMILES Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C29H41N5O6S2/c1-18-19(2)26(20(3)23-10-11-29(4,5)40-25(18)23)42(38,39)32-24(17-21-8-7-9-22(16-21)27(30)31)28(35)33-12-14-34(15-13-33)41(6,36)37/h7-9,16,24,32H,10-15,17H2,1-6H3,(H3,30,31)/t24-/m1/s1
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320n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060048
PNG
(3-[3-(4-Methanesulfonyl-piperazin-1-yl)-2-(naphtha...)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H29N5O5S2/c1-36(32,33)30-14-12-29(13-15-30)25(31)22(17-18-6-4-9-20(16-18)24(26)27)28-37(34,35)23-11-5-8-19-7-2-3-10-21(19)23/h2-11,16,22,28H,12-15,17H2,1H3,(H3,26,27)
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320n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060040
PNG
(3-[3-(4-Benzenesulfonyl-piperazin-1-yl)-2-(naphtha...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C30H31N5O5S2/c31-29(32)25-10-6-7-22(19-25)20-28(33-41(37,38)27-14-13-23-8-4-5-9-24(23)21-27)30(36)34-15-17-35(18-16-34)42(39,40)26-11-2-1-3-12-26/h1-14,19,21,28,33H,15-18,20H2,(H3,31,32)
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330n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060049
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperid...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C25H28N4O3S/c26-24(27)21-10-6-7-18(15-21)16-23(25(30)29-13-4-1-5-14-29)28-33(31,32)22-12-11-19-8-2-3-9-20(19)17-22/h2-3,6-12,15,17,23,28H,1,4-5,13-14,16H2,(H3,26,27)
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330n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Citation and Details
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060049
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperid...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C25H28N4O3S/c26-24(27)21-10-6-7-18(15-21)16-23(25(30)29-13-4-1-5-14-29)28-33(31,32)22-12-11-19-8-2-3-9-20(19)17-22/h2-3,6-12,15,17,23,28H,1,4-5,13-14,16H2,(H3,26,27)
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330n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082192
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CNC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H47N5O4S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)42(40,41)36-28(16-22-9-8-10-24(15-22)30(33)34)32(39)37-13-11-23(12-14-37)31(38)35-7/h8-10,15,17-21,23,28,36H,11-14,16H2,1-7H3,(H3,33,34)(H,35,38)
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360n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Citation and Details
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082174
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES COC(=O)C1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H46N4O5S/c1-19(2)25-16-26(20(3)4)29(27(17-25)21(5)6)42(39,40)35-28(15-22-10-8-11-23(14-22)30(33)34)31(37)36-13-9-12-24(18-36)32(38)41-7/h8,10-11,14,16-17,19-21,24,28,35H,9,12-13,15,18H2,1-7H3,(H3,33,34)
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360n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Citation and Details
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060057
PNG
(3-{2-(Naphthalene-2-sulfonylamino)-3-[4-(naphthale...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)c1
Show InChI InChI=1S/C34H33N5O5S2/c35-33(36)29-11-5-6-24(20-29)21-32(37-45(41,42)30-14-12-25-7-1-3-9-27(25)22-30)34(40)38-16-18-39(19-17-38)46(43,44)31-15-13-26-8-2-4-10-28(26)23-31/h1-15,20,22-23,32,37H,16-19,21H2,(H3,35,36)
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400n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082182
PNG
(3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-pyrroli...)
Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC2)c1
Show InChI InChI=1S/C24H26N4O3S/c25-23(26)20-9-5-6-17(14-20)15-22(24(29)28-12-3-4-13-28)27-32(30,31)21-11-10-18-7-1-2-8-19(18)16-21/h1-2,5-11,14,16,22,27H,3-4,12-13,15H2,(H3,25,26)
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440n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Citation and Details
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060054
PNG
(3-[2-[2-(7,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept-1-y...)
Show SMILES CC1(C)C2CCC1(CCS(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)C2
Show InChI InChI=1S/C26H39N5O6S2/c1-25(2)20-7-8-26(25,22(32)17-20)9-14-39(36,37)29-21(16-18-5-4-6-19(15-18)23(27)28)24(33)30-10-12-31(13-11-30)38(3,34)35/h4-6,15,20-21,29H,7-14,16-17H2,1-3H3,(H3,27,28)
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440n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060031
PNG
(3-[(R)-3-(4-Methyl-piperazin-1-yl)-2-(naphthalene-...)
Show SMILES CN1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H29N5O3S/c1-29-11-13-30(14-12-29)25(31)23(16-18-5-4-8-21(15-18)24(26)27)28-34(32,33)22-10-9-19-6-2-3-7-20(19)17-22/h2-10,15,17,23,28H,11-14,16H2,1H3,(H3,26,27)/t23-/m1/s1
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470n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082183
PNG
(3-[3-Morpholin-4-yl-3-oxo-2-(2,4,6-triisopropyl-be...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H42N4O4S/c1-18(2)23-16-24(19(3)4)27(25(17-23)20(5)6)38(35,36)32-26(29(34)33-10-12-37-13-11-33)15-21-8-7-9-22(14-21)28(30)31/h7-9,14,16-20,26,32H,10-13,15H2,1-6H3,(H3,30,31)
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490n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Citation and Details
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50082179
PNG
(1-[3-(3-Carbamimidoyl-phenyl)-2-(2,4,6-triisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1C(O)=O
Show InChI InChI=1S/C31H44N4O5S/c1-18(2)23-16-24(19(3)4)28(25(17-23)20(5)6)41(39,40)34-26(15-21-10-9-11-22(14-21)29(32)33)30(36)35-13-8-7-12-27(35)31(37)38/h9-11,14,16-20,26-27,34H,7-8,12-13,15H2,1-6H3,(H3,32,33)(H,37,38)
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500n/an/an/an/an/an/an/an/a



Universität Jena

Curated by ChEMBL


Assay Description
Tested for inhibition of trypsin


Citation and Details
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50080482
PNG
(4-[(S)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C21H22N4O4S2/c1-29-16-4-2-14-3-5-17(10-15(14)9-16)31(27,28)24-18-6-7-25(21(18)26)11-13-8-19(20(22)23)30-12-13/h2-5,8-10,12,18,24H,6-7,11H2,1H3,(H3,22,23)/t18-/m0/s1
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500n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic trypsin


J Med Chem 42: 3557-71 (1999)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM13279
PNG
(4-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C22H24N4O4S2/c1-25(19-7-8-26(22(19)27)12-14-9-20(21(23)24)31-13-14)32(28,29)18-6-4-15-3-5-17(30-2)10-16(15)11-18/h3-6,9-11,13,19H,7-8,12H2,1-2H3,(H3,23,24)/t19-/m0/s1
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530n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic trypsin


J Med Chem 42: 3557-71 (1999)

More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50060024
PNG
(3-[(R)-3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-2-(n...)
Show SMILES NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1
Show InChI InChI=1S/C26H31N5O4S/c27-25(28)22-7-3-4-19(16-22)17-24(26(33)31-12-10-30(11-13-31)14-15-32)29-36(34,35)23-9-8-20-5-1-2-6-21(20)18-23/h1-9,16,18,24,29,32H,10-15,17H2,(H3,27,28)/t24-/m1/s1
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600n/an/an/an/an/an/an/an/a



Klinikum der Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


J Med Chem 40: 3091-9 (1997)

More data for this
Ligand-Target Pair
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