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Compile Data Set for Download or QSAR

Found 23 hits from Dainippon Sumitomo Pharma Co   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM35276
PNG
(tripeptide-based inhibitor, 14s)
Show SMILES COC(=O)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN1CCN(CC(O)=O)C(=O)C1=O)C(C)C)C(C)C
Show InChI InChI=1S/C25H37N5O10/c1-13(2)18(20(34)25(39)40-5)27-21(35)15-7-6-8-30(15)22(36)19(14(3)4)26-16(31)11-28-9-10-29(12-17(32)33)24(38)23(28)37/h13-15,18-19H,6-12H2,1-5H3,(H,26,31)(H,27,35)(H,32,33)/t15-,18-,19-/m0/s1
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n/an/a 6.60n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35275
PNG
(tripeptide-based inhibitor, 14r)
Show SMILES COC(=O)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Cn1ccc(=O)n(CC(O)=O)c1=O)C(C)C)C(C)C
Show InChI InChI=1S/C25H35N5O10/c1-13(2)19(21(35)24(38)40-5)27-22(36)15-7-6-9-29(15)23(37)20(14(3)4)26-16(31)11-28-10-8-17(32)30(25(28)39)12-18(33)34/h8,10,13-15,19-20H,6-7,9,11-12H2,1-5H3,(H,26,31)(H,27,36)(H,33,34)/t15-,19-,20-/m0/s1
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n/an/a 6.60n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35257
PNG
(tripeptide-based inhibitor, 14a)
Show SMILES CC(C)[C@H](NC(=O)COc1ccc(OCC(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C32H38N4O9/c1-18(2)27(29(40)31-33-22-8-5-6-10-24(22)45-31)35-30(41)23-9-7-15-36(23)32(42)28(19(3)4)34-25(37)16-43-20-11-13-21(14-12-20)44-17-26(38)39/h5-6,8,10-14,18-19,23,27-28H,7,9,15-17H2,1-4H3,(H,34,37)(H,35,41)(H,38,39)/t23-,27-,28-/m0/s1
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n/an/a 7.60n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35261
PNG
(tripeptide-based inhibitor, 14d)
Show SMILES CC(C)[C@H](NC(=O)Cn1cc(C)c(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C31H38N6O9/c1-16(2)24(26(41)28-32-19-9-6-7-11-21(19)46-28)34-27(42)20-10-8-12-36(20)30(44)25(17(3)4)33-22(38)14-35-13-18(5)29(43)37(31(35)45)15-23(39)40/h6-7,9,11,13,16-17,20,24-25H,8,10,12,14-15H2,1-5H3,(H,33,38)(H,34,42)(H,39,40)/t20-,24-,25-/m0/s1
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n/an/a 14n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35269
PNG
(tripeptide-based inhibitor, 14l)
Show SMILES CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C29H38N6O8/c1-16(2)23(25(39)27-30-18-8-5-6-10-20(18)43-27)32-26(40)19-9-7-11-35(19)28(41)24(17(3)4)31-21(36)14-33-12-13-34(29(33)42)15-22(37)38/h5-6,8,10,16-17,19,23-24H,7,9,11-15H2,1-4H3,(H,31,36)(H,32,40)(H,37,38)/t19-,23-,24-/m0/s1
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n/an/a 17n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35274
PNG
(tripeptide-based inhibitor, 14q)
Show SMILES CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)C(=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C31H42N6O9/c1-18(2)24(26(41)28(43)32-15-20-9-6-5-7-10-20)34-27(42)21-11-8-12-37(21)29(44)25(19(3)4)33-22(38)16-35-13-14-36(17-23(39)40)31(46)30(35)45/h5-7,9-10,18-19,21,24-25H,8,11-17H2,1-4H3,(H,32,43)(H,33,38)(H,34,42)(H,39,40)/t21-,24-,25-/m0/s1
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n/an/a 20n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35273
PNG
(tripeptide-based inhibitor, 14p)
Show SMILES CC(C)[C@H](NC(=O)Cn1ccc(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C31H40N6O9/c1-18(2)25(27(42)29(44)32-15-20-9-6-5-7-10-20)34-28(43)21-11-8-13-36(21)30(45)26(19(3)4)33-22(38)16-35-14-12-23(39)37(31(35)46)17-24(40)41/h5-7,9-10,12,14,18-19,21,25-26H,8,11,13,15-17H2,1-4H3,(H,32,44)(H,33,38)(H,34,43)(H,40,41)/t21-,25-,26-/m0/s1
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n/an/a 21n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35268
PNG
(tripeptide-based inhibitor, 14k)
Show SMILES CC(C)[C@H](NC(=O)CN1C(=O)N(CC(O)=O)C(C)(C)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C31H40N6O9/c1-16(2)23(25(41)27-32-18-10-7-8-12-20(18)46-27)34-26(42)19-11-9-13-35(19)28(43)24(17(3)4)33-21(38)14-36-29(44)31(5,6)37(30(36)45)15-22(39)40/h7-8,10,12,16-17,19,23-24H,9,11,13-15H2,1-6H3,(H,33,38)(H,34,42)(H,39,40)/t19-,23-,24-/m0/s1
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n/an/a 23n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35259
PNG
(tripeptide-based inhibitor, 14b)
Show SMILES CC(C)[C@H](NC(=O)Cn1ccc(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H36N6O9/c1-16(2)24(26(41)28-31-18-8-5-6-10-20(18)45-28)33-27(42)19-9-7-12-35(19)29(43)25(17(3)4)32-21(37)14-34-13-11-22(38)36(30(34)44)15-23(39)40/h5-6,8,10-11,13,16-17,19,24-25H,7,9,12,14-15H2,1-4H3,(H,32,37)(H,33,42)(H,39,40)/t19-,24-,25-/m0/s1
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n/an/a 24n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35263
PNG
(tripeptide-based inhibitor, 14f)
Show SMILES CC(C)[C@H](NC(=O)Cn1nc(C)c(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H37N7O9/c1-15(2)23(25(41)27-31-18-9-6-7-11-20(18)46-27)33-26(42)19-10-8-12-35(19)29(44)24(16(3)4)32-21(38)13-37-30(45)36(14-22(39)40)28(43)17(5)34-37/h6-7,9,11,15-16,19,23-24H,8,10,12-14H2,1-5H3,(H,32,38)(H,33,42)(H,39,40)/t19-,23-,24-/m0/s1
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n/an/a 27n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35260
PNG
(tripeptide-based inhibitor, 14c)
Show SMILES CC(C)[C@H](NC(=O)Cn1c(=O)ccn(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H36N6O9/c1-16(2)24(26(41)28-31-18-8-5-6-10-20(18)45-28)33-27(42)19-9-7-12-35(19)29(43)25(17(3)4)32-21(37)14-36-22(38)11-13-34(30(36)44)15-23(39)40/h5-6,8,10-11,13,16-17,19,24-25H,7,9,12,14-15H2,1-4H3,(H,32,37)(H,33,42)(H,39,40)/t19-,24-,25-/m0/s1
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n/an/a 27n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35277
PNG
(tripeptide-based inhibitor, 14t)
Show SMILES CC(C)[C@H](NC(=O)Cn1ccc(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N5O8/c1-12(2)18(20(37)24(25,26)27)29-21(38)14-6-5-8-31(14)22(39)19(13(3)4)28-15(33)10-30-9-7-16(34)32(23(30)40)11-17(35)36/h7,9,12-14,18-19H,5-6,8,10-11H2,1-4H3,(H,28,33)(H,29,38)(H,35,36)/t14-,18-,19-/m0/s1
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n/an/a 28n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35279
PNG
(AE-3763 | tripeptide-based inhibitor, 14v)
Show SMILES CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H34F3N5O7/c1-12(2)17(19(35)23(24,25)26)28-20(36)14-6-5-7-31(14)21(37)18(13(3)4)27-15(32)10-29-8-9-30(22(29)38)11-16(33)34/h12-14,17-18H,5-11H2,1-4H3,(H,27,32)(H,28,36)(H,33,34)/t14-,17-,18-/m0/s1
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n/an/a 29n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35271
PNG
(tripeptide-based inhibitor, 14n)
Show SMILES CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)C(=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H38N6O9/c1-16(2)23(25(40)27-31-18-8-5-6-10-20(18)45-27)33-26(41)19-9-7-11-36(19)28(42)24(17(3)4)32-21(37)14-34-12-13-35(15-22(38)39)30(44)29(34)43/h5-6,8,10,16-17,19,23-24H,7,9,11-15H2,1-4H3,(H,32,37)(H,33,41)(H,38,39)/t19-,23-,24-/m0/s1
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n/an/a 30n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35262
PNG
(tripeptide-based inhibitor, 14e)
Show SMILES CC(C)[C@H](NC(=O)CN1C(=O)CCN(CC(O)=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H38N6O9/c1-16(2)24(26(41)28-31-18-8-5-6-10-20(18)45-28)33-27(42)19-9-7-12-35(19)29(43)25(17(3)4)32-21(37)14-36-22(38)11-13-34(30(36)44)15-23(39)40/h5-6,8,10,16-17,19,24-25H,7,9,11-15H2,1-4H3,(H,32,37)(H,33,42)(H,39,40)/t19-,24-,25-/m0/s1
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n/an/a 33n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35266
PNG
(tripeptide-based inhibitor, 14i)
Show SMILES CC(C)[C@H](NC(=O)Cn1c(O)cn(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C29H36N6O9/c1-15(2)23(25(40)27-30-17-8-5-6-10-19(17)44-27)32-26(41)18-9-7-11-34(18)28(42)24(16(3)4)31-20(36)12-35-21(37)13-33(29(35)43)14-22(38)39/h5-6,8,10,13,15-16,18,23-24,37H,7,9,11-12,14H2,1-4H3,(H,31,36)(H,32,41)(H,38,39)/t18-,23-,24-/m0/s1
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n/an/a 35n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35265
PNG
(tripeptide-based inhibitor, 14h)
Show SMILES CC(C)[C@H](NC(=O)Cn1cc(O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C29H36N6O9/c1-15(2)23(25(40)27-30-17-8-5-6-10-19(17)44-27)32-26(41)18-9-7-11-34(18)28(42)24(16(3)4)31-20(36)12-33-13-21(37)35(29(33)43)14-22(38)39/h5-6,8,10,13,15-16,18,23-24,37H,7,9,11-12,14H2,1-4H3,(H,31,36)(H,32,41)(H,38,39)/t18-,23-,24-/m0/s1
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n/an/a 42n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35264
PNG
(tripeptide-based inhibitor, 14g)
Show SMILES CC(C)[C@H](NC(=O)Cn1ncc(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C29H35N7O9/c1-15(2)23(25(41)27-31-17-8-5-6-10-19(17)45-27)33-26(42)18-9-7-11-34(18)28(43)24(16(3)4)32-20(37)13-36-29(44)35(14-22(39)40)21(38)12-30-36/h5-6,8,10,12,15-16,18,23-24H,7,9,11,13-14H2,1-4H3,(H,32,37)(H,33,42)(H,39,40)/t18-,23-,24-/m0/s1
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n/an/a 43n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35267
PNG
(tripeptide-based inhibitor, 14j)
Show SMILES CC(C)[C@H](NC(=O)CN1C(=O)N(CC(O)=O)C(=O)C1(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C31H40N6O9/c1-16(2)23(25(41)27-32-18-10-7-8-12-20(18)46-27)34-26(42)19-11-9-13-35(19)28(43)24(17(3)4)33-21(38)14-37-30(45)36(15-22(39)40)29(44)31(37,5)6/h7-8,10,12,16-17,19,23-24H,9,11,13-15H2,1-6H3,(H,33,38)(H,34,42)(H,39,40)/t19-,23-,24-/m0/s1
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n/an/a 47n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35270
PNG
(tripeptide-based inhibitor, 14m)
Show SMILES CC(C)[C@H](NC(=O)CN1CC(=O)N(CC(O)=O)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H38N6O9/c1-16(2)25(27(42)29-31-18-8-5-6-10-20(18)45-29)33-28(43)19-9-7-11-36(19)30(44)26(17(3)4)32-21(37)12-34-13-23(39)35(14-22(34)38)15-24(40)41/h5-6,8,10,16-17,19,25-26H,7,9,11-15H2,1-4H3,(H,32,37)(H,33,43)(H,40,41)/t19-,25-,26-/m0/s1
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n/an/a 62n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35272
PNG
(tripeptide-based inhibitor, 14o)
Show SMILES CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)CC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H42N6O7/c1-18(2)25(27(40)29-31-20-8-5-6-10-22(20)43-29)33-28(41)21-9-7-11-36(21)30(42)26(19(3)4)32-23(37)16-34-12-14-35(15-13-34)17-24(38)39/h5-6,8,10,18-19,21,25-26H,7,9,11-17H2,1-4H3,(H,32,37)(H,33,41)(H,38,39)/t21-,25-,26-/m0/s1
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n/an/a 62n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35280
PNG
(tripeptide-based inhibitor, 14w)
Show SMILES CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H34F3N5O7/c1-12(2)17(19(35)23(24,25)26)28-20(36)14-6-5-7-31(14)21(37)18(13(3)4)27-15(32)10-29-8-9-30(22(29)38)11-16(33)34/h12-14,17-18H,5-11H2,1-4H3,(H,27,32)(H,28,36)(H,33,34)/t14-,17+,18-/m0/s1
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n/an/a>1.00E+3n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM35278
PNG
(tripeptide-based inhibitor, 14u)
Show SMILES CC(C)[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H30F3N5O6/c1-11(2)16(18(33)22(23,24)25)28-19(34)13-6-5-8-30(13)20(35)17(12(3)4)26-15(32)10-29-9-7-14(31)27-21(29)36/h7,9,11-13,16-17H,5-6,8,10H2,1-4H3,(H,26,32)(H,28,34)(H,27,31,36)/t13-,16-,17-/m0/s1
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n/an/a 1.00E+3n/an/an/an/a7.537



Dainippon Sumitomo Pharma Co



Assay Description
To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was...


Bioorg Med Chem 17: 7477-86 (2009)


Article DOI: 10.1016/j.bmc.2009.09.020
BindingDB Entry DOI: 10.7270/Q22Z13W5
More data for this
Ligand-Target Pair