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Compile Data Set for Download or QSAR

Found 22 hits of ic50 for UniProtKB: P00763   
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 II


(Rattus norvegicus)
BDBM50123407
PNG
(2-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2cc(ccc2s1)C(N)=N)S(C)(=O)=O
Show InChI InChI=1S/C24H29N5O3S2/c1-16(25)28-11-9-21(10-12-28)32-20-6-4-19(5-7-20)29(34(2,30)31)15-22-14-18-13-17(24(26)27)3-8-23(18)33-22/h3-8,13-14,21,25H,9-12,15H2,1-2H3,(H3,26,27)
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n/an/a 21n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123417
PNG
(2-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2ccc(cc2n1C)C(N)=N)S(C)(=O)=O
Show InChI InChI=1S/C25H32N6O3S/c1-17(26)30-12-10-23(11-13-30)34-22-8-6-20(7-9-22)31(35(3,32)33)16-21-14-18-4-5-19(25(27)28)15-24(18)29(21)2/h4-9,14-15,23,26H,10-13,16H2,1-3H3,(H3,27,28)
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n/an/a 25n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123431
PNG
(7-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-oxo-2...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3ccc4ccc(cc4c3)C(N)=N)C(=O)COc2c1
Show InChI InChI=1S/C27H29N5O3/c1-17(28)31-10-8-22(9-11-31)35-23-6-7-24-25(14-23)34-16-26(33)32(24)15-18-2-3-19-4-5-20(27(29)30)13-21(19)12-18/h2-7,12-14,22,28H,8-11,15-16H2,1H3,(H3,29,30)
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n/an/a 28n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123412
PNG
(1-Ethyl-2-{7-[1-(1-imino-ethyl)-piperidin-4-yloxy]...)
Show SMILES CCn1c(CN2C(=O)COc3cc(OC4CCN(CC4)C(C)=N)ccc23)cc2ccc(cc12)C(N)=N
Show InChI InChI=1S/C27H32N6O3/c1-3-32-20(12-18-4-5-19(27(29)30)13-24(18)32)15-33-23-7-6-22(14-25(23)35-16-26(33)34)36-21-8-10-31(11-9-21)17(2)28/h4-7,12-14,21,28H,3,8-11,15-16H2,1-2H3,(H3,29,30)
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n/an/a 58n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50084617
PNG
(((7-carbamimidoyl-naphthalen-2-ylmethyl)-{4-[1-(1-...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccc2ccc(cc2c1)C(N)=N)S(=O)(=O)CC(O)=O
Show InChI InChI=1S/C27H31N5O5S/c1-18(28)31-12-10-25(11-13-31)37-24-8-6-23(7-9-24)32(38(35,36)17-26(33)34)16-19-2-3-20-4-5-21(27(29)30)15-22(20)14-19/h2-9,14-15,25,28H,10-13,16-17H2,1H3,(H3,29,30)(H,33,34)
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n/an/a 63n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123414
PNG
(((5-Carbamimidoyl-benzo[b]thiophen-2-ylmethyl)-{4-...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2cc(ccc2s1)C(N)=N)S(=O)(=O)CC(O)=O
Show InChI InChI=1S/C25H29N5O5S2/c1-16(26)29-10-8-21(9-11-29)35-20-5-3-19(4-6-20)30(37(33,34)15-24(31)32)14-22-13-18-12-17(25(27)28)2-7-23(18)36-22/h2-7,12-13,21,26H,8-11,14-15H2,1H3,(H3,27,28)(H,31,32)
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n/an/a 63n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123426
PNG
(2-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-oxo-2...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3cc4ccc(cc4n3C)C(N)=N)C(=O)COc2c1
Show InChI InChI=1S/C26H30N6O3/c1-16(27)31-9-7-20(8-10-31)35-21-5-6-22-24(13-21)34-15-25(33)32(22)14-19-11-17-3-4-18(26(28)29)12-23(17)30(19)2/h3-6,11-13,20,27H,7-10,14-15H2,1-2H3,(H3,28,29)
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n/an/a 76n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123422
PNG
(((7-Carbamimidoyl-naphthalen-2-ylmethyl)-{4-[1-(1-...)
Show SMILES CCOC(=O)CS(=O)(=O)N(Cc1ccc2ccc(cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)cc1
Show InChI InChI=1S/C29H35N5O5S/c1-3-38-28(35)19-40(36,37)34(18-21-4-5-22-6-7-23(29(31)32)17-24(22)16-21)25-8-10-26(11-9-25)39-27-12-14-33(15-13-27)20(2)30/h4-11,16-17,27,30H,3,12-15,18-19H2,1-2H3,(H3,31,32)
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n/an/a 83n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123416
PNG
(((5-Carbamimidoyl-benzo[b]thiophen-2-ylmethyl)-{4-...)
Show SMILES CCOC(=O)CS(=O)(=O)N(Cc1cc2cc(ccc2s1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)cc1
Show InChI InChI=1S/C27H33N5O5S2/c1-3-36-26(33)17-39(34,35)32(16-24-15-20-14-19(27(29)30)4-9-25(20)38-24)21-5-7-22(8-6-21)37-23-10-12-31(13-11-23)18(2)28/h4-9,14-15,23,28H,3,10-13,16-17H2,1-2H3,(H3,29,30)
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n/an/a 86n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123420
PNG
(7-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccc2ccc(cc2c1)C(N)=N)S(C)(=O)=O
Show InChI InChI=1S/C26H31N5O3S/c1-18(27)30-13-11-25(12-14-30)34-24-9-7-23(8-10-24)31(35(2,32)33)17-19-3-4-20-5-6-21(26(28)29)16-22(20)15-19/h3-10,15-16,25,27H,11-14,17H2,1-2H3,(H3,28,29)
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n/an/a 94n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123427
PNG
(3'-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-oxo-...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3cccc(c3)-c3cccc(c3)C(N)=N)C(=O)COc2c1
Show InChI InChI=1S/C29H31N5O3/c1-19(30)33-12-10-24(11-13-33)37-25-8-9-26-27(16-25)36-18-28(35)34(26)17-20-4-2-5-21(14-20)22-6-3-7-23(15-22)29(31)32/h2-9,14-16,24,30H,10-13,17-18H2,1H3,(H3,31,32)
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n/an/a 143n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123413
PNG
(2-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2cc(ccc2n1C)C(N)=N)S(C)(=O)=O
Show InChI InChI=1S/C25H32N6O3S/c1-17(26)30-12-10-23(11-13-30)34-22-7-5-20(6-8-22)31(35(3,32)33)16-21-15-19-14-18(25(27)28)4-9-24(19)29(21)2/h4-9,14-15,23,26H,10-13,16H2,1-3H3,(H3,27,28)
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n/an/a 167n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123429
PNG
(((3'-Carbamimidoyl-biphenyl-3-ylmethyl)-{4-[1-(1-i...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cccc(c1)-c1cccc(c1)C(N)=N)S(=O)(=O)CC(O)=O
Show InChI InChI=1S/C29H33N5O5S/c1-20(30)33-14-12-27(13-15-33)39-26-10-8-25(9-11-26)34(40(37,38)19-28(35)36)18-21-4-2-5-22(16-21)23-6-3-7-24(17-23)29(31)32/h2-11,16-17,27,30H,12-15,18-19H2,1H3,(H3,31,32)(H,35,36)
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n/an/a 269n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123425
PNG
(((3'-Carbamimidoyl-biphenyl-3-ylmethyl)-{4-[1-(1-i...)
Show SMILES CCOC(=O)CS(=O)(=O)N(Cc1cccc(c1)-c1cccc(c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)cc1
Show InChI InChI=1S/C31H37N5O5S/c1-3-40-30(37)21-42(38,39)36(20-23-6-4-7-24(18-23)25-8-5-9-26(19-25)31(33)34)27-10-12-28(13-11-27)41-29-14-16-35(17-15-29)22(2)32/h4-13,18-19,29,32H,3,14-17,20-21H2,1-2H3,(H3,33,34)
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n/an/a 292n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123415
PNG
(3'-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-phen...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cccc(c1)-c1cccc(c1)C(N)=N)S(C)(=O)=O
Show InChI InChI=1S/C28H33N5O3S/c1-20(29)32-15-13-27(14-16-32)36-26-11-9-25(10-12-26)33(37(2,34)35)19-21-5-3-6-22(17-21)23-7-4-8-24(18-23)28(30)31/h3-12,17-18,27,29H,13-16,19H2,1-2H3,(H3,30,31)
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n/an/a 360n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123408
PNG
(4'-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-phen...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccc(cc1)-c1cccc(c1)C(N)=N)S(C)(=O)=O
Show InChI InChI=1S/C28H33N5O3S/c1-20(29)32-16-14-27(15-17-32)36-26-12-10-25(11-13-26)33(37(2,34)35)19-21-6-8-22(9-7-21)23-4-3-5-24(18-23)28(30)31/h3-13,18,27,29H,14-17,19H2,1-2H3,(H3,30,31)
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n/an/a 769n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123423
PNG
(3-{3-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-ph...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc(C)n(n1)-c1cccc(c1)C(N)=N)S(C)(=O)=O
Show InChI InChI=1S/C26H33N7O3S/c1-18-15-21(30-33(18)23-6-4-5-20(16-23)26(28)29)17-32(37(3,34)35)22-7-9-24(10-8-22)36-25-11-13-31(14-12-25)19(2)27/h4-10,15-16,25,27H,11-14,17H2,1-3H3,(H3,28,29)
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n/an/a 2.11E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123421
PNG
(3-{5-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-ph...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc(no1)-c1cccc(c1)C(N)=N)S(C)(=O)=O
Show InChI InChI=1S/C25H30N6O4S/c1-17(26)30-12-10-22(11-13-30)34-21-8-6-20(7-9-21)31(36(2,32)33)16-23-15-24(29-35-23)18-4-3-5-19(14-18)25(27)28/h3-9,14-15,22,26H,10-13,16H2,1-2H3,(H3,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123411
PNG
(2'-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-phen...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccccc1-c1cccc(c1)C(N)=N)S(C)(=O)=O
Show InChI InChI=1S/C28H33N5O3S/c1-20(29)32-16-14-26(15-17-32)36-25-12-10-24(11-13-25)33(37(2,34)35)19-23-6-3-4-9-27(23)21-7-5-8-22(18-21)28(30)31/h3-13,18,26,29H,14-17,19H2,1-2H3,(H3,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123410
PNG
(3-{5-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-ph...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc(C)nn1-c1cccc(c1)C(N)=N)S(C)(=O)=O
Show InChI InChI=1S/C26H33N7O3S/c1-18-15-23(33(30-18)22-6-4-5-20(16-22)26(28)29)17-32(37(3,34)35)21-7-9-24(10-8-21)36-25-11-13-31(14-12-25)19(2)27/h4-10,15-16,25,27H,11-14,17H2,1-3H3,(H3,28,29)
PDB
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PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123409
PNG
(2'-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-phen...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccccc1-c1ccc(cc1)C(N)=N)S(C)(=O)=O
Show InChI InChI=1S/C28H33N5O3S/c1-20(29)32-17-15-26(16-18-32)36-25-13-11-24(12-14-25)33(37(2,34)35)19-23-5-3-4-6-27(23)21-7-9-22(10-8-21)28(30)31/h3-14,26,29H,15-19H2,1-2H3,(H3,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair
Trypsin II


(Rattus norvegicus)
BDBM50123419
PNG
(3-(5-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-ox...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3cc(no3)-c3cccc(c3)C(N)=N)C(=O)COc2c1
Show InChI InChI=1S/C26H28N6O4/c1-16(27)31-9-7-19(8-10-31)35-20-5-6-23-24(13-20)34-15-25(33)32(23)14-21-12-22(30-36-21)17-3-2-4-18(11-17)26(28)29/h2-6,11-13,19,27H,7-10,14-15H2,1H3,(H3,28,29)
PDB
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PC cid
PC sid
UniChem
PubMed
n/an/a 2.50E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin


Bioorg Med Chem Lett 13: 561-6 (2003)

More data for this
Ligand-Target Pair