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Compile Data Set for Download or QSAR

Found 575 hits with Last Name = 'dong' and Initial = 'a'   
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
Putative farnesyl pyrophosphate synthase


(Cryptosporidium parvum)
BDBM12578
PNG
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
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0.0500 -61.2 30.1n/an/an/an/a7.737



University of Toronto



Assay Description
Enzymatic assay using CpNPPPS was assayed using Reed and Rilling method with some modification.


Chem Biol 15: 1296-306 (2008)


Article DOI: 10.1016/j.chembiol.2008.10.017
BindingDB Entry DOI: 10.7270/Q25B00XQ
More data for this
Ligand-Target Pair
Putative farnesyl pyrophosphate synthase


(Cryptosporidium parvum)
BDBM12576
PNG
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)
Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)
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0.380 -55.9 45.7n/an/an/an/a7.737



University of Toronto



Assay Description
Enzymatic assay using CpNPPPS was assayed using Reed and Rilling method with some modification.


Chem Biol 15: 1296-306 (2008)


Article DOI: 10.1016/j.chembiol.2008.10.017
BindingDB Entry DOI: 10.7270/Q25B00XQ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058357
PNG
(1-[(S)-3-Methyl-2-(4-phenoxy-benzoylamino)-butyryl...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H34F3N3O5/c1-17(2)23(25(36)29(30,31)32)33-27(38)22-11-8-16-35(22)28(39)24(18(3)4)34-26(37)19-12-14-21(15-13-19)40-20-9-6-5-7-10-20/h5-7,9-10,12-15,17-18,22-24H,8,11,16H2,1-4H3,(H,33,38)(H,34,37)/t22?,23?,24-/m0/s1
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0.410n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058376
PNG
(4-((E)-2-{(S)-2-Methyl-1-[2-(3,3,3-trifluoro-1-iso...)
Show SMILES CCOC(=O)c1ccc(\C=C\C(=O)N[C@@H](C(C)C)C(=O)N2CCCC2C(=O)NC(C(C)C)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C28H36F3N3O6/c1-6-40-27(39)19-12-9-18(10-13-19)11-14-21(35)32-23(17(4)5)26(38)34-15-7-8-20(34)25(37)33-22(16(2)3)24(36)28(29,30)31/h9-14,16-17,20,22-23H,6-8,15H2,1-5H3,(H,32,35)(H,33,37)/b14-11+/t20?,22?,23-/m0/s1
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0.430n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50035500
PNG
((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H34ClF3N4O7S/c1-16(2)23(25(39)30(32,33)34)35-28(42)22-6-5-15-38(22)29(43)24(17(3)4)36-26(40)18-7-9-19(10-8-18)27(41)37-46(44,45)21-13-11-20(31)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)/t22-,23?,24-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005147
PNG
((S)-1-{(S)-2-[4-(4-Bromo-benzenesulfonylaminocarbo...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F |r|
Show InChI InChI=1S/C30H34BrF3N4O7S/c1-16(2)23(25(39)30(32,33)34)35-28(42)22-6-5-15-38(22)29(43)24(17(3)4)36-26(40)18-7-9-19(10-8-18)27(41)37-46(44,45)21-13-11-20(31)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)/t22-,23-,24?/m0/s1
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0.620n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058378
PNG
(CHEMBL2372974 | {(S)-2-Methyl-1-[2-(3,3,3-trifluor...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H29F4N3O5/c1-12(2)17(19(31)23(25,26)27)28-20(32)16-6-5-11-30(16)21(33)18(13(3)4)29-22(34)35-15-9-7-14(24)8-10-15/h7-10,12-13,16-18H,5-6,11H2,1-4H3,(H,28,32)(H,29,34)/t16-,17-,18-/m0/s1
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0.630n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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0.800n/a 4n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058382
PNG
(1-{(S)-3-Methyl-2-[(naphthalene-2-carbonyl)-amino]...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H32F3N3O4/c1-15(2)21(23(34)27(28,29)30)31-25(36)20-10-7-13-33(20)26(37)22(16(3)4)32-24(35)19-12-11-17-8-5-6-9-18(17)14-19/h5-6,8-9,11-12,14-16,20-22H,7,10,13H2,1-4H3,(H,31,36)(H,32,35)/t20?,21?,22-/m0/s1
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0.870n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058364
PNG
(1-{(S)-2-[2-(Acetyl-benzyl-amino)-acetylamino]-3-m...)
Show SMILES CC(C)[C@H](NC(=O)CN(Cc1ccccc1)C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H37F3N4O5/c1-16(2)22(24(37)27(28,29)30)32-25(38)20-12-9-13-34(20)26(39)23(17(3)4)31-21(36)15-33(18(5)35)14-19-10-7-6-8-11-19/h6-8,10-11,16-17,20,22-23H,9,12-15H2,1-5H3,(H,31,36)(H,32,38)/t20-,22-,23-/m0/s1
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0.960n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058362
PNG
(1-[(S)-2-(3,4-Dimethyl-benzoylamino)-3-methyl-buty...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(C)c(C)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H34F3N3O4/c1-13(2)19(21(32)25(26,27)28)29-23(34)18-8-7-11-31(18)24(35)20(14(3)4)30-22(33)17-10-9-15(5)16(6)12-17/h9-10,12-14,18-20H,7-8,11H2,1-6H3,(H,29,34)(H,30,33)/t18-,19-,20-/m0/s1
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1n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058368
PNG
(1-[(S)-2-(3,4-Dimethoxy-benzoylamino)-3-methyl-but...)
Show SMILES COc1ccc(cc1OC)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H34F3N3O6/c1-13(2)19(21(32)25(26,27)28)29-23(34)16-8-7-11-31(16)24(35)20(14(3)4)30-22(33)15-9-10-17(36-5)18(12-15)37-6/h9-10,12-14,16,19-20H,7-8,11H2,1-6H3,(H,29,34)(H,30,33)/t16?,19?,20-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058339
PNG
(1-[(S)-3-Methyl-2-(4-nitro-benzoylamino)-butyryl]-...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H29F3N4O6/c1-12(2)17(19(31)23(24,25)26)27-21(33)16-6-5-11-29(16)22(34)18(13(3)4)28-20(32)14-7-9-15(10-8-14)30(35)36/h7-10,12-13,16-18H,5-6,11H2,1-4H3,(H,27,33)(H,28,32)/t16?,17?,18-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058351
PNG
(1-[(S)-2-(Adamantane-1-sulfonylamino)-3-methyl-but...)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NS(=O)(=O)C12CC3CC(CC(C3)C1)C2)C(C)C)C(=O)C(F)(F)F |TLB:22:23:27:20.21.26,THB:22:21:27:28.23.24,24:23:20:27.25.26|
Show InChI InChI=1S/C26H40F3N3O5S/c1-14(2)20(22(33)26(27,28)29)30-23(34)19-6-5-7-32(19)24(35)21(15(3)4)31-38(36,37)25-11-16-8-17(12-25)10-18(9-16)13-25/h14-21,31H,5-13H2,1-4H3,(H,30,34)/t16?,17?,18?,19?,20?,21-,25?/m0/s1
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1.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 8 (PRMT8)


(Homo sapiens (Human))
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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1.30n/a 5n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058344
PNG
(CHEMBL417935 | {(S)-2-Methyl-1-[(S)-2-((S)-3,3,3-t...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O5/c1-13(2)17(19(30)23(24,25)26)27-20(31)16-11-8-12-29(16)21(32)18(14(3)4)28-22(33)34-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18H,8,11-12H2,1-4H3,(H,27,31)(H,28,33)/t16-,17-,18-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058344
PNG
(CHEMBL417935 | {(S)-2-Methyl-1-[(S)-2-((S)-3,3,3-t...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O5/c1-13(2)17(19(30)23(24,25)26)27-20(31)16-11-8-12-29(16)21(32)18(14(3)4)28-22(33)34-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18H,8,11-12H2,1-4H3,(H,27,31)(H,28,33)/t16-,17-,18-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Putative farnesyl pyrophosphate synthase


(Cryptosporidium parvum)
BDBM81349
PNG
(IBAN)
Show SMILES CCCCCN(C)CCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H25NO7P2/c1-3-4-5-8-11(2)9-6-7-10(12,19(13,14)15)20(16,17)18/h12H,3-9H2,1-2H3,(H2,13,14,15)(H2,16,17,18)
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1.60 -52.2 52.7n/an/an/an/a7.737



University of Toronto



Assay Description
Enzymatic assay using CpNPPPS was assayed using Reed and Rilling method with some modification.


Chem Biol 15: 1296-306 (2008)


Article DOI: 10.1016/j.chembiol.2008.10.017
BindingDB Entry DOI: 10.7270/Q25B00XQ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058374
PNG
(1-((S)-3-Methyl-2-pentafluorobenzenesulfonylamino-...)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H25F8N3O5S/c1-8(2)16(19(34)22(28,29)30)31-20(35)10-6-5-7-33(10)21(36)17(9(3)4)32-39(37,38)18-14(26)12(24)11(23)13(25)15(18)27/h8-10,16-17,32H,5-7H2,1-4H3,(H,31,35)/t10?,16?,17-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036058
PNG
(CHEMBL354883 | benzyl (S)-1-((S)-2-(((S)-1,1,1-tri...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O5/c1-14(2)18(20(31)24(25,26)27)28-21(32)17-11-8-12-30(17)22(33)19(15(3)4)29-23(34)35-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13H2,1-4H3,(H,28,32)(H,29,34)/t17-,18-,19-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058379
PNG
(1-{(S)-2-[Bis-(3-phenyl-propyl)-amino]-3-methyl-bu...)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)[C@H](C(C)C)N(CCCc1ccccc1)CCCc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C34H46F3N3O3/c1-24(2)29(31(41)34(35,36)37)38-32(42)28-20-13-23-40(28)33(43)30(25(3)4)39(21-11-18-26-14-7-5-8-15-26)22-12-19-27-16-9-6-10-17-27/h5-10,14-17,24-25,28-30H,11-13,18-23H2,1-4H3,(H,38,42)/t28?,29?,30-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058342
PNG
(3-{(S)-2-Methyl-1-[2-(3,3,3-trifluoro-1-isopropyl-...)
Show SMILES CC(C)[C@H](NC(=O)c1cc2ccccc2cc1C(O)=O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H32F3N3O6/c1-14(2)21(23(35)28(29,30)31)32-25(37)20-10-7-11-34(20)26(38)22(15(3)4)33-24(36)18-12-16-8-5-6-9-17(16)13-19(18)27(39)40/h5-6,8-9,12-15,20-22H,7,10-11H2,1-4H3,(H,32,37)(H,33,36)(H,39,40)/t20?,21?,22-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058359
PNG
(4-((E)-2-{(S)-2-Methyl-1-[2-(3,3,3-trifluoro-1-iso...)
Show SMILES CC(C)[C@H](NC(=O)\C=C\c1ccc(cc1)C(O)=O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H32F3N3O6/c1-14(2)20(22(34)26(27,28)29)31-23(35)18-6-5-13-32(18)24(36)21(15(3)4)30-19(33)12-9-16-7-10-17(11-8-16)25(37)38/h7-12,14-15,18,20-21H,5-6,13H2,1-4H3,(H,30,33)(H,31,35)(H,37,38)/b12-9+/t18?,20?,21-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058347
PNG
(CHEMBL56713 | N-{(S)-2-Methyl-1-[2-(3,3,3-trifluor...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O6/c1-13(2)18(20(32)25(26,27)28)29-22(34)17-7-6-12-31(17)23(35)19(14(3)4)30-21(33)15-8-10-16(11-9-15)24(36)37-5/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,29,34)(H,30,33)/t17?,18?,19-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058391
PNG
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058391
PNG
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058389
PNG
(1-{(S)-2-[2-(Acetyl-propyl-amino)-acetylamino]-3-m...)
Show SMILES CCCN(CC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F)C(C)=O
Show InChI InChI=1S/C23H37F3N4O5/c1-7-10-29(15(6)31)12-17(32)27-19(14(4)5)22(35)30-11-8-9-16(30)21(34)28-18(13(2)3)20(33)23(24,25)26/h13-14,16,18-19H,7-12H2,1-6H3,(H,27,32)(H,28,34)/t16-,18-,19-/m0/s1
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2n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058346
PNG
(1-[(S)-2-(4-Methanesulfonyl-benzoylamino)-3-methyl...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)S(C)(=O)=O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O6S/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(11-9-15)37(5,35)36/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17?,18?,19-/m0/s1
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2n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058353
PNG
(1-[(S)-3-Methyl-2-(4-methylsulfanyl-benzoylamino)-...)
Show SMILES CSc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O4S/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17?,18?,19-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058367
PNG
(1-[(S)-2-(4-Dimethylamino-benzoylamino)-3-methyl-b...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H35F3N4O4/c1-14(2)19(21(33)25(26,27)28)29-23(35)18-8-7-13-32(18)24(36)20(15(3)4)30-22(34)16-9-11-17(12-10-16)31(5)6/h9-12,14-15,18-20H,7-8,13H2,1-6H3,(H,29,35)(H,30,34)/t18?,19?,20-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058375
PNG
(1-[(S)-3-Methyl-2-(3-phenyl-ureido)-butyryl]-pyrro...)
Show SMILES CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H31F3N4O4/c1-13(2)17(19(31)23(24,25)26)28-20(32)16-11-8-12-30(16)21(33)18(14(3)4)29-22(34)27-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18H,8,11-12H2,1-4H3,(H,28,32)(H2,27,29,34)/t16-,17-,18-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058392
PNG
(1-[(S)-3-Methyl-2-(naphthalene-2-sulfonylamino)-bu...)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H32F3N3O5S/c1-15(2)21(23(33)26(27,28)29)30-24(34)20-10-7-13-32(20)25(35)22(16(3)4)31-38(36,37)19-12-11-17-8-5-6-9-18(17)14-19/h5-6,8-9,11-12,14-16,20-22,31H,7,10,13H2,1-4H3,(H,30,34)/t20?,21?,22-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058338
PNG
(1-[(S)-2-(4-Fluoro-benzoylamino)-3-methyl-butyryl]...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H29F4N3O4/c1-12(2)17(19(31)23(25,26)27)28-21(33)16-6-5-11-30(16)22(34)18(13(3)4)29-20(32)14-7-9-15(24)10-8-14/h7-10,12-13,16-18H,5-6,11H2,1-4H3,(H,28,33)(H,29,32)/t16-,17-,18-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM178102
PNG
(N1-Methyl-N1-((4-(3-(trifluoromethyl)phenyl)-1H-py...)
Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3
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3n/a 9n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058356
PNG
(1-[(S)-3-Methyl-2-(2,4,6-triisopropyl-benzenesulfo...)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C31H48F3N3O5S/c1-16(2)21-14-22(17(3)4)27(23(15-21)18(5)6)43(41,42)36-26(20(9)10)30(40)37-13-11-12-24(37)29(39)35-25(19(7)8)28(38)31(32,33)34/h14-20,24-26,36H,11-13H2,1-10H3,(H,35,39)/t24?,25?,26-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058369
PNG
(1-[(S)-2-(4-Chloro-benzenesulfonylamino)-3-methyl-...)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H29ClF3N3O5S/c1-12(2)17(19(30)22(24,25)26)27-20(31)16-6-5-11-29(16)21(32)18(13(3)4)28-35(33,34)15-9-7-14(23)8-10-15/h7-10,12-13,16-18,28H,5-6,11H2,1-4H3,(H,27,31)/t16?,17?,18-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058345
PNG
(CHEMBL2372982 | N-{(S)-2-Methyl-1-[2-(3,3,3-triflu...)
Show SMILES CC(C)[C@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H29F3N4O4/c1-12(2)16(18(30)22(23,24)25)27-20(32)15-6-5-11-29(15)21(33)17(13(3)4)28-19(31)14-7-9-26-10-8-14/h7-10,12-13,15-17H,5-6,11H2,1-4H3,(H,27,32)(H,28,31)/t15-,16-,17-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058366
PNG
(1-[(S)-2-(4-Hydroxy-benzoylamino)-3-methyl-butyryl...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O5/c1-12(2)17(19(31)23(24,25)26)27-21(33)16-6-5-11-29(16)22(34)18(13(3)4)28-20(32)14-7-9-15(30)10-8-14/h7-10,12-13,16-18,30H,5-6,11H2,1-4H3,(H,27,33)(H,28,32)/t16-,17-,18-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058363
PNG
(1-[(S)-2-(4-Methanesulfonylaminocarbonyl-benzoylam...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(C)(=O)=O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H33F3N4O7S/c1-13(2)18(20(33)25(26,27)28)29-23(36)17-7-6-12-32(17)24(37)19(14(3)4)30-21(34)15-8-10-16(11-9-15)22(35)31-40(5,38)39/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,29,36)(H,30,34)(H,31,35)/t17?,18?,19-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058373
PNG
(1-[(S)-3-Methyl-2-(4-nitro-benzenesulfonylamino)-b...)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H29F3N4O7S/c1-12(2)17(19(30)22(23,24)25)26-20(31)16-6-5-11-28(16)21(32)18(13(3)4)27-37(35,36)15-9-7-14(8-10-15)29(33)34/h7-10,12-13,16-18,27H,5-6,11H2,1-4H3,(H,26,31)/t16?,17?,18-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058372
PNG
(CHEMBL292141 | N-(2-Dimethylamino-ethyl)-N'-{(S)-2...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NCCN(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H40F3N5O5/c1-16(2)21(23(37)28(29,30)31)33-26(40)20-8-7-14-36(20)27(41)22(17(3)4)34-25(39)19-11-9-18(10-12-19)24(38)32-13-15-35(5)6/h9-12,16-17,20-22H,7-8,13-15H2,1-6H3,(H,32,38)(H,33,40)(H,34,39)/t20?,21?,22-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058355
PNG
(1-{(S)-3-Methyl-2-[4-(naphthalene-1-sulfonylamino)...)
Show SMILES CC(C)[C@H](NC(=O)CCC(=O)NS(=O)(=O)c1cccc2ccccc12)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H37F3N4O7S/c1-17(2)25(27(40)30(31,32)33)35-28(41)21-12-8-16-37(21)29(42)26(18(3)4)34-23(38)14-15-24(39)36-45(43,44)22-13-7-10-19-9-5-6-11-20(19)22/h5-7,9-11,13,17-18,21,25-26H,8,12,14-16H2,1-4H3,(H,34,38)(H,35,41)(H,36,39)/t21?,25?,26-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058383
PNG
(1-((S)-2-Benzoylamino-3-methyl-butyryl)-pyrrolidin...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O4/c1-13(2)17(19(30)23(24,25)26)27-21(32)16-11-8-12-29(16)22(33)18(14(3)4)28-20(31)15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18H,8,11-12H2,1-4H3,(H,27,32)(H,28,31)/t16-,17-,18-/m0/s1
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6.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058377
PNG
(CHEMBL2372977 | N-{(S)-2-Methyl-1-[2-(3,3,3-triflu...)
Show SMILES CC(C)[C@H](NC(=O)c1cccnc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H29F3N4O4/c1-12(2)16(18(30)22(23,24)25)27-20(32)15-8-6-10-29(15)21(33)17(13(3)4)28-19(31)14-7-5-9-26-11-14/h5,7,9,11-13,15-17H,6,8,10H2,1-4H3,(H,27,32)(H,28,31)/t15-,16-,17-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058343
PNG
(1-[(S)-2-(4-Methoxy-benzenesulfonylamino)-3-methyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H32F3N3O6S/c1-13(2)18(20(30)23(24,25)26)27-21(31)17-7-6-12-29(17)22(32)19(14(3)4)28-36(33,34)16-10-8-15(35-5)9-11-16/h8-11,13-14,17-19,28H,6-7,12H2,1-5H3,(H,27,31)/t17?,18?,19-/m0/s1
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8n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058360
PNG
(4-(3-{(S)-2-Methyl-1-[2-(3,3,3-trifluoro-1-isoprop...)
Show SMILES CC(C)[C@H](NC(=O)Nc1ccc(cc1)C(O)=O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H31F3N4O6/c1-12(2)17(19(32)24(25,26)27)29-20(33)16-6-5-11-31(16)21(34)18(13(3)4)30-23(37)28-15-9-7-14(8-10-15)22(35)36/h7-10,12-13,16-18H,5-6,11H2,1-4H3,(H,29,33)(H,35,36)(H2,28,30,37)/t16?,17?,18-/m0/s1
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10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM178103
PNG
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
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11n/a 30n/an/an/an/an/an/a



University of Toronto



Assay Description
In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...


ACS Chem Biol 11: 772-81 (2016)


Article DOI: 10.1021/acschembio.5b00839
BindingDB Entry DOI: 10.7270/Q2765D4H
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058390
PNG
(1-{(S)-2-[3-(4-Fluoro-phenyl)-ureido]-3-methyl-but...)
Show SMILES CC(C)[C@H](NC(=O)Nc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H30F4N4O4/c1-12(2)17(19(32)23(25,26)27)29-20(33)16-6-5-11-31(16)21(34)18(13(3)4)30-22(35)28-15-9-7-14(24)8-10-15/h7-10,12-13,16-18H,5-6,11H2,1-4H3,(H,29,33)(H2,28,30,35)/t16-,17-,18-/m0/s1
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11n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058385
PNG
(5-{(S)-2-Methyl-1-[2-(3,3,3-trifluoro-1-isopropyl-...)
Show SMILES COC(=O)c1cc(cc(c1)C(=O)OC)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H34F3N3O8/c1-13(2)19(21(34)27(28,29)30)31-23(36)18-8-7-9-33(18)24(37)20(14(3)4)32-22(35)15-10-16(25(38)40-5)12-17(11-15)26(39)41-6/h10-14,18-20H,7-9H2,1-6H3,(H,31,36)(H,32,35)/t18?,19?,20-/m0/s1
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11n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058340
PNG
((S)-1-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-b...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H37F3N4O6/c1-16(2)21(23(36)28(29,30)31)32-25(38)20-6-5-11-35(20)27(40)22(17(3)4)33-24(37)18-7-9-19(10-8-18)26(39)34-12-14-41-15-13-34/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,32,38)(H,33,37)/t20-,21-,22-/m0/s1
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12n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
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