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19 similar compounds to monomer 50228851

Compile data set for download or QSAR
Wt: 626.6
BDBM35262
Wt: 612.6
BDBM35265
Wt: 612.6
BDBM35266
Wt: 640.6
BDBM35267
Wt: 640.6
BDBM35268
Wt: 598.6
BDBM35269
Wt: 626.6
BDBM35270
Wt: 626.6
BDBM35271
Wt: 598.6
BDBM35272
Wt: 548.6
BDBM50031199
Wt: 562.6
BDBM50031208
Wt: 459.5
BDBM50037606
Wt: 557.6
BDBM50061509
Wt: 543.6
BDBM50061512
Wt: 514.5
BDBM50109759
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 35262,35265,35266,35267,35268,35269,35270,35271,35272,50031199,50031208,50037606,50061509,50061512,50109759   
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))
BDBM50031199
PNG
(((S)-1-{(S)-2-[(S)-1-(Benzooxazole-2-carbonyl)-2-m...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H36N4O6/c1-18(2)24(26(35)28-31-21-13-8-9-15-23(21)40-28)32-27(36)22-14-10-16-34(22)29(37)25(19(3)4)33-30(38)39-17-20-11-6-5-7-12-20/h5-9,11-13,15,18-19,22,24-25H,10,14,16-17H2,1-4H3,(H,32,36)(H,33,38)/t22-,24-,25-/m0/s1
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3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50031199
PNG
(((S)-1-{(S)-2-[(S)-1-(Benzooxazole-2-carbonyl)-2-m...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H36N4O6/c1-18(2)24(26(35)28-31-21-13-8-9-15-23(21)40-28)32-27(36)22-14-10-16-34(22)29(37)25(19(3)4)33-30(38)39-17-20-11-6-5-7-12-20/h5-9,11-13,15,18-19,22,24-25H,10,14,16-17H2,1-4H3,(H,32,36)(H,33,38)/t22-,24-,25-/m0/s1
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3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 38: 3972-82 (1995)


Article DOI: 10.1021/jm00020a011
BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50031199
PNG
(((S)-1-{(S)-2-[(S)-1-(Benzooxazole-2-carbonyl)-2-m...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H36N4O6/c1-18(2)24(26(35)28-31-21-13-8-9-15-23(21)40-28)32-27(36)22-14-10-16-34(22)29(37)25(19(3)4)33-30(38)39-17-20-11-6-5-7-12-20/h5-9,11-13,15,18-19,22,24-25H,10,14,16-17H2,1-4H3,(H,32,36)(H,33,38)/t22-,24-,25-/m0/s1
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase


J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50031199
PNG
(((S)-1-{(S)-2-[(S)-1-(Benzooxazole-2-carbonyl)-2-m...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H36N4O6/c1-18(2)24(26(35)28-31-21-13-8-9-15-23(21)40-28)32-27(36)22-14-10-16-34(22)29(37)25(19(3)4)33-30(38)39-17-20-11-6-5-7-12-20/h5-9,11-13,15,18-19,22,24-25H,10,14,16-17H2,1-4H3,(H,32,36)(H,33,38)/t22-,24-,25-/m0/s1
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3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN


J Med Chem 38: 76-85 (1995)


Article DOI: 10.1021/jm00001a013
BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50031199
PNG
(((S)-1-{(S)-2-[(S)-1-(Benzooxazole-2-carbonyl)-2-m...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H36N4O6/c1-18(2)24(26(35)28-31-21-13-8-9-15-23(21)40-28)32-27(36)22-14-10-16-34(22)29(37)25(19(3)4)33-30(38)39-17-20-11-6-5-7-12-20/h5-9,11-13,15,18-19,22,24-25H,10,14,16-17H2,1-4H3,(H,32,36)(H,33,38)/t22-,24-,25-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50031208
PNG
(4-(((S)-1-((S)-2-(((S)-1-(benzo[d]oxazol-2-yl)-3-m...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H34N4O7/c1-16(2)23(25(35)28-31-20-8-5-6-10-22(20)41-28)32-27(37)21-9-7-15-34(21)29(38)24(17(3)4)33-26(36)18-11-13-19(14-12-18)30(39)40/h5-6,8,10-14,16-17,21,23-24H,7,9,15H2,1-4H3,(H,32,37)(H,33,36)(H,39,40)/t21-,23-,24-/m0/s1
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11n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 38: 3972-82 (1995)


Article DOI: 10.1021/jm00020a011
BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50031208
PNG
(4-(((S)-1-((S)-2-(((S)-1-(benzo[d]oxazol-2-yl)-3-m...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H34N4O7/c1-16(2)23(25(35)28-31-20-8-5-6-10-22(20)41-28)32-27(37)21-9-7-15-34(21)29(38)24(17(3)4)33-26(36)18-11-13-19(14-12-18)30(39)40/h5-6,8,10-14,16-17,21,23-24H,7,9,15H2,1-4H3,(H,32,37)(H,33,36)(H,39,40)/t21-,23-,24-/m0/s1
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11n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
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
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061512
PNG
((S)-N*1*-(2-Benzooxazol-2-yl-1-methyl-2-oxo-ethyl)...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C28H41N5O6/c1-16(22(36)26-31-17-12-10-11-13-19(17)39-26)29-24(37)18(14-21(35)33(8)9)30-25(38)23(28(5,6)7)32-20(34)15-27(2,3)4/h10-13,16,18,23H,14-15H2,1-9H3,(H,29,37)(H,30,38)(H,32,34)/t16?,18-,23+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50061509
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-11-12-20-18(13-16)32-27(40-20)23(37)17(2)30-25(38)19(14-22(36)34(9)10)31-26(39)24(29(6,7)8)33-21(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50037606
PNG
(1-{(S)-2-[(S)-2-(Benzooxazole-2-carbonyl)-pyrrolid...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C27H29N3O4/c31-24(16-6-11-19-9-2-1-3-10-19)29-17-8-14-22(29)27(33)30-18-7-13-21(30)25(32)26-28-20-12-4-5-15-23(20)34-26/h1-5,9-10,12,15,21-22H,6-8,11,13-14,16-18H2/t21-,22-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prolyl endopeptidase (PEP)


J Med Chem 37: 3492-502 (1994)


Article DOI: 10.1021/jm00047a007
BindingDB Entry DOI: 10.7270/Q2RB73N9
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50061509
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-11-12-20-18(13-16)32-27(40-20)23(37)17(2)30-25(38)19(14-22(36)34(9)10)31-26(39)24(29(6,7)8)33-21(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50061512
PNG
((S)-N*1*-(2-Benzooxazol-2-yl-1-methyl-2-oxo-ethyl)...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C28H41N5O6/c1-16(22(36)26-31-17-12-10-11-13-19(17)39-26)29-24(37)18(14-21(35)33(8)9)30-25(38)23(28(5,6)7)32-20(34)15-27(2,3)4/h10-13,16,18,23H,14-15H2,1-9H3,(H,29,37)(H,30,38)(H,32,34)/t16?,18-,23+/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease human liver Cathepsin B (cat-B )


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061509
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-11-12-20-18(13-16)32-27(40-20)23(37)17(2)30-25(38)19(14-22(36)34(9)10)31-26(39)24(29(6,7)8)33-21(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50061509
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-11-12-20-18(13-16)32-27(40-20)23(37)17(2)30-25(38)19(14-22(36)34(9)10)31-26(39)24(29(6,7)8)33-21(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease human liver Cathepsin B (cat-B )


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50061512
PNG
((S)-N*1*-(2-Benzooxazol-2-yl-1-methyl-2-oxo-ethyl)...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C28H41N5O6/c1-16(22(36)26-31-17-12-10-11-13-19(17)39-26)29-24(37)18(14-21(35)33(8)9)30-25(38)23(28(5,6)7)32-20(34)15-27(2,3)4/h10-13,16,18,23H,14-15H2,1-9H3,(H,29,37)(H,30,38)(H,32,34)/t16?,18-,23+/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50061512
PNG
((S)-N*1*-(2-Benzooxazol-2-yl-1-methyl-2-oxo-ethyl)...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C28H41N5O6/c1-16(22(36)26-31-17-12-10-11-13-19(17)39-26)29-24(37)18(14-21(35)33(8)9)30-25(38)23(28(5,6)7)32-20(34)15-27(2,3)4/h10-13,16,18,23H,14-15H2,1-9H3,(H,29,37)(H,30,38)(H,32,34)/t16?,18-,23+/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Activity against serine protease porcine pancreatic elastase (PPE)


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061509
PNG
((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C29H43N5O6/c1-16-11-12-20-18(13-16)32-27(40-20)23(37)17(2)30-25(38)19(14-22(36)34(9)10)31-26(39)24(29(6,7)8)33-21(35)15-28(3,4)5/h11-13,17,19,24H,14-15H2,1-10H3,(H,30,38)(H,31,39)(H,33,35)/t17?,19-,24+/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase(HLE) serine protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061512
PNG
((S)-N*1*-(2-Benzooxazol-2-yl-1-methyl-2-oxo-ethyl)...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C28H41N5O6/c1-16(22(36)26-31-17-12-10-11-13-19(17)39-26)29-24(37)18(14-21(35)33(8)9)30-25(38)23(28(5,6)7)32-20(34)15-27(2,3)4/h10-13,16,18,23H,14-15H2,1-9H3,(H,29,37)(H,30,38)(H,32,34)/t16?,18-,23+/m0/s1
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n/an/a 1.83E+5n/an/an/an/an/an/a



Boehringer Ingelheim Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase(HLE) serine protease


J Med Chem 40: 4113-35 (1998)


Article DOI: 10.1021/jm970104t
BindingDB Entry DOI: 10.7270/Q2PC31HW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50109759
PNG
(CHEMBL358686 | N-(1-{2-[1-(Benzooxazole-2-carbonyl...)
Show SMILES CC(C)[C@H](NC(=O)CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C26H34N4O7/c1-14(2)21(23(34)25-27-16-8-5-6-10-18(16)37-25)29-24(35)17-9-7-13-30(17)26(36)22(15(3)4)28-19(31)11-12-20(32)33/h5-6,8,10,14-15,17,21-22H,7,9,11-13H2,1-4H3,(H,28,31)(H,29,35)(H,32,33)/t17-,21-,22-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of the human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate Suc-Ala-Pro-Ala-MCA


Bioorg Med Chem Lett 12: 551-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00797-1
BindingDB Entry DOI: 10.7270/Q2TM79D1
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50061512
PNG
((S)-N*1*-(2-Benzooxazol-2-yl-1-methyl-2-oxo-ethyl)...)
Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C28H41N5O6/c1-16(22(36)26-31-17-12-10-11-13-19(17)39-26)29-24(37)18(14-21(35)33(8)9)30-25(38)23(28(5,6)7)32-20(34)15-27(2,3)4/h10-13,16,18,23H,14-15H2,1-9H3,(H,29,37)(H,30,38)(H,32,34)/t16?,18-,23+/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of pig kidney PEP


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
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))
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))
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))
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))
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))
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))
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))
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