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Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with Target = 'Elastase 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Elastase 1


(Homo sapiens)
BDBM50014738
PNG
(CHEMBL130253 | N-(Adamantyl-sulfonyl)-N-(methoxy s...)
Show SMILES COC(=O)CCC(=O)NCCCC[C@H](NS(=O)(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C32H49F3N4O8S/c1-19(2)27(28(42)32(33,34)35)37-29(43)24-8-6-12-39(24)30(44)23(7-4-5-11-36-25(40)9-10-26(41)47-3)38-48(45,46)31-16-20-13-21(17-31)15-22(14-20)18-31/h19-24,27,38H,4-18H2,1-3H3,(H,36,40)(H,37,43)/t20?,21?,22?,23-,24-,27-,31?/m0/s1
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0.580n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014735
PNG
((1-{1-Methyl-2-oxo-2-[2-(3,3,3-trifluoro-1-isoprop...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H33F3N4O6/c1-14(2)19(20(33)25(26,27)28)31-22(35)18-11-8-12-32(18)23(36)16(4)29-21(34)15(3)30-24(37)38-13-17-9-6-5-7-10-17/h5-7,9-10,14-16,18-19H,8,11-13H2,1-4H3,(H,29,34)(H,30,37)(H,31,35)/t15-,16-,18-,19-/m0/s1
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1n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014732
PNG
(1-{2-[2-(5-Dimethylamino-naphthalene-1-sulfonylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H38F3N5O6S/c1-16(2)24(25(38)29(30,31)32)34-27(40)22-13-9-15-37(22)28(41)18(4)33-26(39)17(3)35-44(42,43)23-14-8-10-19-20(23)11-7-12-21(19)36(5)6/h7-8,10-12,14,16-18,22,24,35H,9,13,15H2,1-6H3,(H,33,39)(H,34,40)/t17-,18-,22-,24-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase for more active diasteriomer


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014730
PNG
(CHEMBL130271 | N-(1-{1-Methyl-2-oxo-2-[2-(3,3,3-tr...)
Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H33F3N4O7/c1-11(2)17(18(32)22(23,24)25)28-20(34)14-7-6-10-29(14)21(35)13(4)27-19(33)12(3)26-15(30)8-9-16(31)36-5/h11-14,17H,6-10H2,1-5H3,(H,26,30)(H,27,33)(H,28,34)/t12-,13-,14-,17-/m0/s1
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7n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase for more active diasteriomer


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014730
PNG
(CHEMBL130271 | N-(1-{1-Methyl-2-oxo-2-[2-(3,3,3-tr...)
Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H33F3N4O7/c1-11(2)17(18(32)22(23,24)25)28-20(34)14-7-6-10-29(14)21(35)13(4)27-19(33)12(3)26-15(30)8-9-16(31)36-5/h11-14,17H,6-10H2,1-5H3,(H,26,30)(H,27,33)(H,28,34)/t12-,13-,14-,17-/m0/s1
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14n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014736
PNG
((1-{1-Methyl-2-oxo-2-[2-(3,3,3-trifluoro-1-isoprop...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H35F3N4O6/c1-11(2)15(16(30)22(23,24)25)28-18(32)14-9-8-10-29(14)19(33)13(4)26-17(31)12(3)27-20(34)35-21(5,6)7/h11-15H,8-10H2,1-7H3,(H,26,31)(H,27,34)(H,28,32)/t12-,13-,14-,15-/m0/s1
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44n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014730
PNG
(CHEMBL130271 | N-(1-{1-Methyl-2-oxo-2-[2-(3,3,3-tr...)
Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H33F3N4O7/c1-11(2)17(18(32)22(23,24)25)28-20(34)14-7-6-10-29(14)21(35)13(4)27-19(33)12(3)26-15(30)8-9-16(31)36-5/h11-14,17H,6-10H2,1-5H3,(H,26,30)(H,27,33)(H,28,34)/t12-,13-,14-,17-/m0/s1
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92n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human elastase for less active diasteriomer


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014732
PNG
(1-{2-[2-(5-Dimethylamino-naphthalene-1-sulfonylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H38F3N5O6S/c1-16(2)24(25(38)29(30,31)32)34-27(40)22-13-9-15-37(22)28(41)18(4)33-26(39)17(3)35-44(42,43)23-14-8-10-19-20(23)11-7-12-21(19)36(5)6/h7-8,10-12,14,16-18,22,24,35H,9,13,15H2,1-6H3,(H,33,39)(H,34,40)/t17-,18-,22-,24-/m0/s1
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110n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase for less active diasteriomer


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014737
PNG
(CHEMBL446422 | {1-Benzyl-2-oxo-2-[2-(3,3,3-trifluo...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H34F3N3O5/c1-15(2)19(20(32)25(26,27)28)30-21(33)18-12-9-13-31(18)22(34)17(14-16-10-7-6-8-11-16)29-23(35)36-24(3,4)5/h6-8,10-11,15,17-19H,9,12-14H2,1-5H3,(H,29,35)(H,30,33)/t17-,18-,19-/m0/s1
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160n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014748
PNG
(3-[(1-{2-[2-(3-Methoxycarbonyl-propionylamino)-pro...)
Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(=O)OC
Show InChI InChI=1S/C23H36N4O9/c1-12(2)18(19(30)23(34)36-6)26-21(32)15-8-7-11-27(15)22(33)14(4)25-20(31)13(3)24-16(28)9-10-17(29)35-5/h12-15,18H,7-11H2,1-6H3,(H,24,28)(H,25,31)(H,26,32)/t13-,14-,15-,18-/m0/s1
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200n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50269564
PNG
(5,6,5',6'-tetrahydroxy[3,3']bibenzofuranyl-2,2'-di...)
Show SMILES COC(=O)c1oc2cc(O)c(O)cc2c1-c1c(oc2cc(O)c(O)cc12)C(=O)OC
Show InChI InChI=1S/C20H14O10/c1-27-19(25)17-15(7-3-9(21)11(23)5-13(7)29-17)16-8-4-10(22)12(24)6-14(8)30-18(16)20(26)28-2/h3-6,21-24H,1-2H3
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290n/an/an/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of Flavobacterium meningosepticum PEP


J Nat Prod 65: 76-8 (2002)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014745
PNG
(3-{2-[2-(2-Benzyloxycarbonylamino-propionylamino)-...)
Show SMILES CCOC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C23H32N4O8/c1-6-34-22(32)18(28)13(2)24-19(29)14(3)25-20(30)15(4)26-21(31)16(5)27-23(33)35-12-17-10-8-7-9-11-17/h7-11,13-16H,6,12H2,1-5H3,(H,24,29)(H,25,30)(H,26,31)(H,27,33)/t13-,14-,15-,16-/m0/s1
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300n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014734
PNG
(CHEMBL132768 | N-{1-Benzyl-2-oxo-2-[2-(3,3,3-trifl...)
Show SMILES COC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O6/c1-15(2)21(22(34)25(26,27)28)30-23(35)18-10-7-13-31(18)24(36)17(14-16-8-5-4-6-9-16)29-19(32)11-12-20(33)37-3/h4-6,8-9,15,17-18,21H,7,10-14H2,1-3H3,(H,29,32)(H,30,35)/t17-,18+,21+/m1/s1
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660n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014747
PNG
(3-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]...)
Show SMILES COC(=O)C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O
Show InChI InChI=1S/C20H30N4O7/c1-11(16(26)20(30)31-4)21-18(28)15-8-6-10-24(15)19(29)12(2)22-17(27)14-7-5-9-23(14)13(3)25/h11-12,14-15H,5-10H2,1-4H3,(H,21,28)(H,22,27)/t11-,12-,14-,15-/m0/s1
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850n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014733
PNG
(2,2-Difluoro-4-[(1-{2-[2-(3-methoxycarbonyl-propio...)
Show SMILES CCOC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)OC)C(C)C
Show InChI InChI=1S/C25H38F2N4O9/c1-7-40-24(38)25(26,27)20(34)19(13(2)3)30-22(36)16-9-8-12-31(16)23(37)15(5)29-21(35)14(4)28-17(32)10-11-18(33)39-6/h13-16,19H,7-12H2,1-6H3,(H,28,32)(H,29,35)(H,30,36)/t14-,15-,16-,19-/m0/s1
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4.30E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014742
PNG
(Acetyl-Ala-Ala-Pro-Ala-trifluromethane | CHEMBL130...)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H25F3N4O5/c1-8(13(26)17(18,19)20)22-15(28)12-6-5-7-24(12)16(29)10(3)23-14(27)9(2)21-11(4)25/h8-10,12H,5-7H2,1-4H3,(H,21,25)(H,22,28)(H,23,27)/t8-,9-,10-,12-/m0/s1
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PubMed
2.40E+4n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014742
PNG
(Acetyl-Ala-Ala-Pro-Ala-trifluromethane | CHEMBL130...)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H25F3N4O5/c1-8(13(26)17(18,19)20)22-15(28)12-6-5-7-24(12)16(29)10(3)23-14(27)9(2)21-11(4)25/h8-10,12H,5-7H2,1-4H3,(H,21,25)(H,22,28)(H,23,27)/t8-,9-,10-,12-/m0/s1
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PubMed
2.40E+4n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014740
PNG
(Acetyl-Pro-Ala-Pro-Ala-trifluoro methane | CHEMBL1...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H27F3N4O5/c1-10(15(28)19(20,21)22)23-17(30)14-7-5-9-26(14)18(31)11(2)24-16(29)13-6-4-8-25(13)12(3)27/h10-11,13-14H,4-9H2,1-3H3,(H,23,30)(H,24,29)/t10-,11-,13-,14-/m0/s1
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PubMed
>8.00E+5n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014740
PNG
(Acetyl-Pro-Ala-Pro-Ala-trifluoro methane | CHEMBL1...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H27F3N4O5/c1-10(15(28)19(20,21)22)23-17(30)14-7-5-9-26(14)18(31)11(2)24-16(29)13-6-4-8-25(13)12(3)27/h10-11,13-14H,4-9H2,1-3H3,(H,23,30)(H,24,29)/t10-,11-,13-,14-/m0/s1
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>8.00E+5n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014731
PNG
(3-[(1-{2-[2-(3-Methoxycarbonyl-propionylamino)-pro...)
Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)OC
Show InChI InChI=1S/C27H36N4O9/c1-16(28-21(32)12-13-22(33)39-3)24(35)29-17(2)26(37)31-14-8-11-20(31)25(36)30-19(23(34)27(38)40-4)15-18-9-6-5-7-10-18/h5-7,9-10,16-17,19-20H,8,11-15H2,1-4H3,(H,28,32)(H,29,35)(H,30,36)/t16-,17-,19-,20-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014732
PNG
(1-{2-[2-(5-Dimethylamino-naphthalene-1-sulfonylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H38F3N5O6S/c1-16(2)24(25(38)29(30,31)32)34-27(40)22-13-9-15-37(22)28(41)18(4)33-26(39)17(3)35-44(42,43)23-14-8-10-19-20(23)11-7-12-21(19)36(5)6/h7-8,10-12,14,16-18,22,24,35H,9,13,15H2,1-6H3,(H,33,39)(H,34,40)/t17-,18-,22-,24-/m0/s1
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1.00E+6n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50014743
PNG
(CHEMBL132171 | N-(1-{2-[2-(1-Benzyl-3,3,3-trifluor...)
Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H33F3N4O7/c1-15(30-20(34)11-12-21(35)40-3)23(37)31-16(2)25(39)33-13-7-10-19(33)24(38)32-18(22(36)26(27,28)29)14-17-8-5-4-6-9-17/h4-6,8-9,15-16,18-19H,7,10-14H2,1-3H3,(H,30,34)(H,31,37)(H,32,38)/t15-,16-,18-,19-/m0/s1
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>1.50E+6n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50326056
PNG
((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Pancreatic elastase 1


Citation and Details
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50038879
PNG
((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
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n/an/a 51.6n/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of Flavobacterium meningosepticum PEP


J Nat Prod 65: 76-8 (2002)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50269565
PNG
(CHEMBL500199 | propeptin)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC1=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C112H140N26O27/c1-6-60(4)92(106(159)133-85(57-139)110(163)138-41-19-30-87(138)111(164)165)134-102(155)79(44-63-22-11-8-12-23-63)132-107(160)93(61(5)140)135-103(156)82(49-68-53-115-58-122-68)123-89(144)55-119-88(143)54-120-95(148)77(43-62-20-9-7-10-21-62)126-97(150)76(42-59(2)3)131-108(161)94-105(158)121-56-90(145)124-84(46-65-33-37-70(142)38-34-65)109(162)137-40-18-29-86(137)104(157)130-81(48-67-52-118-74-27-16-14-25-72(67)74)100(153)128-80(47-66-51-117-73-26-15-13-24-71(66)73)99(152)129-83(50-91(146)147)101(154)127-78(45-64-31-35-69(141)36-32-64)98(151)125-75(96(149)136-94)28-17-39-116-112(113)114/h7-16,20-27,31-38,51-53,58-61,75-87,92-94,117-118,139-142H,6,17-19,28-30,39-50,54-57H2,1-5H3,(H,115,122)(H,119,143)(H,120,148)(H,121,158)(H,123,144)(H,124,145)(H,125,151)(H,126,150)(H,127,154)(H,128,153)(H,129,152)(H,130,157)(H,131,161)(H,132,160)(H,133,159)(H,134,155)(H,135,156)(H,136,149)(H,146,147)(H,164,165)(H4,113,114,116)/t60-,61+,75-,76-,77-,78?,79-,80-,81-,82-,83-,84-,85-,86-,87-,92-,93-,94-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of Flavobacterium meningosepticum PEP


J Nat Prod 65: 76-8 (2002)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50269564
PNG
(5,6,5',6'-tetrahydroxy[3,3']bibenzofuranyl-2,2'-di...)
Show SMILES COC(=O)c1oc2cc(O)c(O)cc2c1-c1c(oc2cc(O)c(O)cc12)C(=O)OC
Show InChI InChI=1S/C20H14O10/c1-27-19(25)17-15(7-3-9(21)11(23)5-13(7)29-17)16-8-4-10(22)12(24)6-14(8)30-18(16)20(26)28-2/h3-6,21-24H,1-2H3
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n/an/a 1.14E+3n/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of Flavobacterium meningosepticum PEP


J Nat Prod 65: 76-8 (2002)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50269567
PNG
(CHEMBL515528 | Kynapcin-12)
Show SMILES CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(C)=O)c(O)c1-c1ccc(O)cc1
Show InChI InChI=1S/C22H18O8/c1-11(23)29-21-17(13-3-7-15(25)8-4-13)20(28)22(30-12(2)24)18(19(21)27)14-5-9-16(26)10-6-14/h3-10,25-28H,1-2H3
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n/an/a 1.25E+3n/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of Flavobacterium meningosepticum PEP


J Nat Prod 65: 76-8 (2002)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50269566
PNG
(CHEMBL458248 | polyozellin)
Show SMILES CC(=O)Oc1c2oc3cc(O)c(O)cc3c2c(OC(C)=O)c2oc3cc(O)c(O)cc3c12
Show InChI InChI=1S/C22H14O10/c1-7(23)29-19-17-9-3-11(25)13(27)5-15(9)32-22(17)20(30-8(2)24)18-10-4-12(26)14(28)6-16(10)31-21(18)19/h3-6,25-28H,1-2H3
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n/an/a 2.72E+3n/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of Flavobacterium meningosepticum PEP


J Nat Prod 65: 76-8 (2002)

More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50326055
PNG
((1R,21S,24S)-21-tert-Butyl-N-((1R,2R)-1-{[(cyclopr...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)OCC(C)(C)CCCCc2cccc3CN(Cc23)C(=O)O[C@@H]2C[C@H](N(C2)C1=O)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C38H53N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h7,10,12-13,25-27,29-30H,1,8-9,11,14-22H2,2-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Pancreatic elastase 1


Citation and Details
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM50310584
PNG
(CHEMBL1078049 | N-(5-Chloro-pyridin-2-yl)-2-(4-{N-...)
Show SMILES NN(CC(=O)N1CSC[C@H]1C#N)C1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1
Show InChI InChI=1S/C18H24ClN7O2S/c19-13-1-2-16(22-8-13)23-17(27)9-24-5-3-14(4-6-24)26(21)10-18(28)25-12-29-11-15(25)7-20/h1-2,8,14-15H,3-6,9-12,21H2,(H,22,23,27)/t15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Torrent Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of elastase


Citation and Details
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens)
BDBM12311
PNG
((1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxop...)
Show SMILES CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C
Show InChI InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Pancreatic elastase 1


Citation and Details
More data for this
Ligand-Target Pair