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Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'giroux' and Initial = 'el'   
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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50044868
PNG
(7-(1-Carboxy-3-phenyl-propylamino)-6-oxo-1,2,3,4,6...)
Show SMILES OC(=O)[C@H](CCc1ccccc1)N[C@@H]1Cc2ccccc2C2CCC[C@@H](N2C1=O)C(O)=O
Show InChI InChI=1S/C25H28N2O5/c28-23-20(26-19(24(29)30)14-13-16-7-2-1-3-8-16)15-17-9-4-5-10-18(17)21-11-6-12-22(25(31)32)27(21)23/h1-5,7-10,19-22,26H,6,11-15H2,(H,29,30)(H,31,32)/t19-,20+,21?,22+/m0/s1
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0.00400n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rabbit lung angiotensin I-converting enzyme (ACE) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50044866
PNG
(7-(2-Mercapto-3-phenyl-propionylamino)-6-oxo-1,2,3...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)C(Cc1ccccc21)NC(=O)C(S)Cc1ccccc1
Show InChI InChI=1S/C24H26N2O4S/c27-22(21(31)13-15-7-2-1-3-8-15)25-18-14-16-9-4-5-10-17(16)19-11-6-12-20(24(29)30)26(19)23(18)28/h1-5,7-10,18-21,31H,6,11-14H2,(H,25,27)(H,29,30)/t18?,19?,20-,21?/m1/s1
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0.0700n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50044866
PNG
(7-(2-Mercapto-3-phenyl-propionylamino)-6-oxo-1,2,3...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)C(Cc1ccccc21)NC(=O)C(S)Cc1ccccc1
Show InChI InChI=1S/C24H26N2O4S/c27-22(21(31)13-15-7-2-1-3-8-15)25-18-14-16-9-4-5-10-17(16)19-11-6-12-20(24(29)30)26(19)23(18)28/h1-5,7-10,18-21,31H,6,11-14H2,(H,25,27)(H,29,30)/t18?,19?,20-,21?/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL




J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50228471
PNG
(CHEMBL131548)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
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<0.100n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL




J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50044866
PNG
(7-(2-Mercapto-3-phenyl-propionylamino)-6-oxo-1,2,3...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)C(Cc1ccccc21)NC(=O)C(S)Cc1ccccc1
Show InChI InChI=1S/C24H26N2O4S/c27-22(21(31)13-15-7-2-1-3-8-15)25-18-14-16-9-4-5-10-17(16)19-11-6-12-20(24(29)30)26(19)23(18)28/h1-5,7-10,18-21,31H,6,11-14H2,(H,25,27)(H,29,30)/t18?,19?,20-,21?/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rabbit lung angiotensin I-converting enzyme (ACE) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens (Human))
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 |TLB:25:24:27:19.20.21,25:20:27:26.24.23,THB:23:22:19:26.24.25,23:24:19:27.22.21|
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)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50044867
PNG
(7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-octahydro...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)[C@H](CS)Cc1ccccc21
Show InChI InChI=1S/C16H19NO3S/c18-15-11(9-21)8-10-4-1-2-5-12(10)13-6-3-7-14(16(19)20)17(13)15/h1-2,4-5,11,13-14,21H,3,6-9H2,(H,19,20)/t11-,13?,14+/m0/s1
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2n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50024096
PNG
(((R)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m0/s1
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2n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50044869
PNG
(7-(2-Mercapto-acetylamino)-6-oxo-1,2,3,4,6,7,8,12b...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)[C@@H](Cc1ccccc21)NC(=O)CS
Show InChI InChI=1S/C17H20N2O4S/c20-15(9-24)18-12-8-10-4-1-2-5-11(10)13-6-3-7-14(17(22)23)19(13)16(12)21/h1-2,4-5,12-14,24H,3,6-9H2,(H,18,20)(H,22,23)/t12-,13?,14-/m1/s1
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2n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rabbit lung angiotensin I-converting enzyme (ACE) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50044866
PNG
(7-(2-Mercapto-3-phenyl-propionylamino)-6-oxo-1,2,3...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)C(Cc1ccccc21)NC(=O)C(S)Cc1ccccc1
Show InChI InChI=1S/C24H26N2O4S/c27-22(21(31)13-15-7-2-1-3-8-15)25-18-14-16-9-4-5-10-17(16)19-11-6-12-20(24(29)30)26(19)23(18)28/h1-5,7-10,18-21,31H,6,11-14H2,(H,25,27)(H,29,30)/t18?,19?,20-,21?/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL




J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50044869
PNG
(7-(2-Mercapto-acetylamino)-6-oxo-1,2,3,4,6,7,8,12b...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)[C@@H](Cc1ccccc21)NC(=O)CS
Show InChI InChI=1S/C17H20N2O4S/c20-15(9-24)18-12-8-10-4-1-2-5-11(10)13-6-3-7-14(17(22)23)19(13)16(12)21/h1-2,4-5,12-14,24H,3,6-9H2,(H,18,20)(H,22,23)/t12-,13?,14-/m1/s1
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5n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
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




J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
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




J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50044867
PNG
(7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-octahydro...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)[C@H](CS)Cc1ccccc21
Show InChI InChI=1S/C16H19NO3S/c18-15-11(9-21)8-10-4-1-2-5-12(10)13-6-3-7-14(16(19)20)17(13)15/h1-2,4-5,11,13-14,21H,3,6-9H2,(H,19,20)/t11-,13?,14+/m0/s1
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>7n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rabbit lung angiotensin I-converting enzyme (ACE) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens (Human))
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 for less active diasteriomer


J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
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 |TLB:25:24:27:19.20.21,25:20:27:26.24.23,THB:23:22:19:26.24.25,23:24:19:27.22.21|
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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15n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL




J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens (Human))
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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17n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL




J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
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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29n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against rat Cathepsin G


J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
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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32n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL




J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
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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33n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL




J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50044867
PNG
(7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-octahydro...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)[C@H](CS)Cc1ccccc21
Show InChI InChI=1S/C16H19NO3S/c18-15-11(9-21)8-10-4-1-2-5-12(10)13-6-3-7-14(16(19)20)17(13)15/h1-2,4-5,11,13-14,21H,3,6-9H2,(H,19,20)/t11-,13?,14+/m0/s1
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45n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Beta-chymotrypsin


(Homo sapiens (Human))
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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79n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against alpha-chymotrypsin


J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
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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88n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Cathepsin G


J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
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




J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
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


J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50024096
PNG
(((R)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m0/s1
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130n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rabbit lung angiotensin I-converting enzyme (ACE) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
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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140n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Cathepsin G


J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
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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150n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL




J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
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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200n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL




J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50014741
PNG
(CHEMBL130190 | N-{1-[2-(1-Benzyl-3,3,3-trifluoro-2...)
Show SMILES COC(=O)CCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O6/c1-15(2)21(30-19(32)11-12-20(33)37-3)24(36)31-13-7-10-18(31)23(35)29-17(22(34)25(26,27)28)14-16-8-5-4-6-9-16/h4-6,8-9,15,17-18,21H,7,10-14H2,1-3H3,(H,29,35)(H,30,32)/t17-,18-,21-/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 rat Cathepsin G


J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
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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240n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL




J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens (Human))
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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250n/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)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50044867
PNG
(7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-octahydro...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)[C@H](CS)Cc1ccccc21
Show InChI InChI=1S/C16H19NO3S/c18-15-11(9-21)8-10-4-1-2-5-12(10)13-6-3-7-14(16(19)20)17(13)15/h1-2,4-5,11,13-14,21H,3,6-9H2,(H,19,20)/t11-,13?,14+/m0/s1
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>300n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
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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680n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL




J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50014744
PNG
(3-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]...)
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(O)=O
Show InChI InChI=1S/C19H28N4O7/c1-10(15(25)19(29)30)20-17(27)14-7-5-9-23(14)18(28)11(2)21-16(26)13-6-4-8-22(13)12(3)24/h10-11,13-14H,4-9H2,1-3H3,(H,20,27)(H,21,26)(H,29,30)/t10-,11-,13-,14-/m0/s1
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690n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL




J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50228470
PNG
(CHEMBL2370693)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)C=O
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800n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL




J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50014746
PNG
(3-({1-[2-(3-Methoxycarbonyl-propionylamino)-3-meth...)
Show SMILES COC(=O)CCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)OC
Show InChI InChI=1S/C26H35N3O8/c1-16(2)22(28-20(30)12-13-21(31)36-3)25(34)29-14-8-11-19(29)24(33)27-18(23(32)26(35)37-4)15-17-9-6-5-7-10-17/h5-7,9-10,16,18-19,22H,8,11-15H2,1-4H3,(H,27,33)(H,28,30)/t18-,19-,22-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Cathepsin G


J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
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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1.60E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against rat Cathepsin G


J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
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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1.80E+3n/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)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50014741
PNG
(CHEMBL130190 | N-{1-[2-(1-Benzyl-3,3,3-trifluoro-2...)
Show SMILES COC(=O)CCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O6/c1-15(2)21(30-19(32)11-12-20(33)37-3)24(36)31-13-7-10-18(31)23(35)29-17(22(34)25(26,27)28)14-16-8-5-4-6-9-16/h4-6,8-9,15,17-18,21H,7,10-14H2,1-3H3,(H,29,35)(H,30,32)/t17-,18-,21-/m0/s1
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3.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
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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7.00E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Cathepsin G


J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa (Pig))
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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9.90E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against alpha-chymotrypsin


J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
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