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Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'deason' and Initial = 'jr'   
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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023523
PNG
(2,2-Dimethyl-propionic acid 2-[2,4-bis-(2,2-dimeth...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccc(OC(=O)C(C)(C)C)cc2OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1
Show InChI InChI=1S/C33H42O9/c1-30(2,3)26(35)39-19-13-15-21(23(17-19)41-28(37)32(7,8)9)25(34)22-16-14-20(40-27(36)31(4,5)6)18-24(22)42-29(38)33(10,11)12/h13-18H,1-12H3
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68n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human leukocyte elastase at 10e-8 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023518
PNG
(2,4-Bis-(2,2-dimethyl-propionyloxy)-benzoic acid 5...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(C(=O)OCc2cc(=O)c(OC(=O)C(C)(C)C)co2)c(OC(=O)C(C)(C)C)c1
Show InChI InChI=1S/C28H34O10/c1-26(2,3)23(31)36-16-10-11-18(20(13-16)37-24(32)27(4,5)6)22(30)35-14-17-12-19(29)21(15-34-17)38-25(33)28(7,8)9/h10-13,15H,14H2,1-9H3
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70n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023545
PNG
(2,2-Dimethyl-propionic acid 4-[4-(2,2-dimethyl-pro...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)C(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C23H26O5/c1-22(2,3)20(25)27-17-11-7-15(8-12-17)19(24)16-9-13-18(14-10-16)28-21(26)23(4,5)6/h7-14H,1-6H3
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71n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human leukocyte elastase at 10e-8 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023542
PNG
(2,2-Dimethyl-propionic acid 4-[4-(2,2-dimethyl-pro...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C22H26O6S/c1-21(2,3)19(23)27-15-7-11-17(12-8-15)29(25,26)18-13-9-16(10-14-18)28-20(24)22(4,5)6/h7-14H,1-6H3
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200n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023523
PNG
(2,2-Dimethyl-propionic acid 2-[2,4-bis-(2,2-dimeth...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccc(OC(=O)C(C)(C)C)cc2OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1
Show InChI InChI=1S/C33H42O9/c1-30(2,3)26(35)39-19-13-15-21(23(17-19)41-28(37)32(7,8)9)25(34)22-16-14-20(40-27(36)31(4,5)6)18-24(22)42-29(38)33(10,11)12/h13-18H,1-12H3
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n/an/a 27n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023518
PNG
(2,4-Bis-(2,2-dimethyl-propionyloxy)-benzoic acid 5...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(C(=O)OCc2cc(=O)c(OC(=O)C(C)(C)C)co2)c(OC(=O)C(C)(C)C)c1
Show InChI InChI=1S/C28H34O10/c1-26(2,3)23(31)36-16-10-11-18(20(13-16)37-24(32)27(4,5)6)22(30)35-14-17-12-19(29)21(15-34-17)38-25(33)28(7,8)9/h10-13,15H,14H2,1-9H3
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n/an/a 27n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-8 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023517
PNG
(2,2-Dimethyl-propionic acid 5-(2,2-dimethyl-propio...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)C(=O)c1ccc(OC(=O)C(C)(C)C)cc1OC(=O)C(C)(C)C
Show InChI InChI=1S/C28H34O7/c1-26(2,3)23(30)33-18-12-10-17(11-13-18)22(29)20-15-14-19(34-24(31)27(4,5)6)16-21(20)35-25(32)28(7,8)9/h10-16H,1-9H3
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n/an/a 55n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-5 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023522
PNG
(CHEMBL9969 | Octadecanoic acid 5-isobutyryloxy-4-o...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCc1cc(=O)c(OC(=O)C(C)C)co1
Show InChI InChI=1S/C28H46O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(30)33-21-24-20-25(29)26(22-32-24)34-28(31)23(2)3/h20,22-23H,4-19,21H2,1-3H3
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n/an/a 72n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-8 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023542
PNG
(2,2-Dimethyl-propionic acid 4-[4-(2,2-dimethyl-pro...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C22H26O6S/c1-21(2,3)19(23)27-15-7-11-17(12-8-15)29(25,26)18-13-9-16(10-14-18)28-20(24)22(4,5)6/h7-14H,1-6H3
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n/an/a 83n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-8 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023550
PNG
(2,2-Dimethyl-propionic acid 2-benzoyl-5-(2,2-dimet...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccccc2)c(OC(=O)C(C)(C)C)c1
Show InChI InChI=1S/C23H26O5/c1-22(2,3)20(25)27-16-12-13-17(19(24)15-10-8-7-9-11-15)18(14-16)28-21(26)23(4,5)6/h7-14H,1-6H3
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n/an/a 84n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-8 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023555
PNG
(CHEMBL9809 | Octadecanoic acid 5-(2,2-dimethyl-pro...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCc1cc(=O)c(OC(=O)C(C)(C)C)co1
Show InChI InChI=1S/C29H48O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(31)34-22-24-21-25(30)26(23-33-24)35-28(32)29(2,3)4/h21,23H,5-20,22H2,1-4H3
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n/an/a 100n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023569
PNG
(3,4,5-Tris-(2,2-dimethyl-propionyloxy)-benzoic aci...)
Show SMILES CC(C)(C)C(=O)Oc1cc(cc(OC(=O)C(C)(C)C)c1OC(=O)C(C)(C)C)C(=O)OCc1cc(=O)c(OC(=O)C(C)(C)C)co1
Show InChI InChI=1S/C33H42O12/c1-30(2,3)26(36)42-21-13-18(14-22(43-27(37)31(4,5)6)24(21)45-29(39)33(10,11)12)25(35)41-16-19-15-20(34)23(17-40-19)44-28(38)32(7,8)9/h13-15,17H,16H2,1-12H3
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n/an/a 100n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023570
PNG
(CHEMBL9895 | Hexadecanoic acid 5-(2,2-dimethyl-pro...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCc1cc(=O)c(OC(=O)C(C)(C)C)co1
Show InChI InChI=1S/C27H44O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)32-20-22-19-23(28)24(21-31-22)33-26(30)27(2,3)4/h19,21H,5-18,20H2,1-4H3
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n/an/a 110n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023545
PNG
(2,2-Dimethyl-propionic acid 4-[4-(2,2-dimethyl-pro...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)C(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C23H26O5/c1-22(2,3)20(25)27-17-11-7-15(8-12-17)19(24)16-9-13-18(14-10-16)28-21(26)23(4,5)6/h7-14H,1-6H3
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n/an/a 120n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-8 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023540
PNG
(2,2-Dimethyl-propionic acid 4-[4-(2,2-dimethyl-pro...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)\N=N\c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C22H26N2O4/c1-21(2,3)19(25)27-17-11-7-15(8-12-17)23-24-16-9-13-18(14-10-16)28-20(26)22(4,5)6/h7-14H,1-6H3/b24-23+
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n/an/a 130n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023551
PNG
(CHEMBL9865 | Hexadec-9-enoic acid 5-(2,2-dimethyl-...)
Show SMILES CCCCCC\C=C\CCCCCCCC(=O)OCc1cc(=O)c(OC(=O)C(C)(C)C)co1
Show InChI InChI=1S/C27H42O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)32-20-22-19-23(28)24(21-31-22)33-26(30)27(2,3)4/h10-11,19,21H,5-9,12-18,20H2,1-4H3/b11-10+
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n/an/a 130n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023558
PNG
(CHEMBL9978 | Icosanoic acid 5-(2,2-dimethyl-propio...)
Show SMILES CCCCCCCCCCCCCCCCCCCC(=O)OCc1cc(=O)c(OC(=O)C(C)(C)C)co1
Show InChI InChI=1S/C31H52O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(33)36-24-26-23-27(32)28(25-35-26)37-30(34)31(2,3)4/h23,25H,5-22,24H2,1-4H3
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n/an/a 130n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023547
PNG
(2,2-Dimethyl-propionic acid 4-(4-chloro-benzoyl)-p...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClO3/c1-18(2,3)17(21)22-15-10-6-13(7-11-15)16(20)12-4-8-14(19)9-5-12/h4-11H,1-3H3
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n/an/a 140n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023566
PNG
(CHEMBL269669 | Isobutyric acid 4-(4-isobutyryloxy-...)
Show SMILES CC(C)C(=O)Oc1ccc(cc1)C(=O)c1ccc(OC(=O)C(C)C)cc1
Show InChI InChI=1S/C21H22O5/c1-13(2)20(23)25-17-9-5-15(6-10-17)19(22)16-7-11-18(12-8-16)26-21(24)14(3)4/h5-14H,1-4H3
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n/an/a 150n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023529
PNG
(CHEMBL9644 | Docos-13-enoic acid 5-(2,2-dimethyl-p...)
Show SMILES CCCCCCCC\C=C\CCCCCCCCCCCC(=O)OCc1cc(=O)c(OC(=O)C(C)(C)C)co1
Show InChI InChI=1S/C33H54O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31(35)38-26-28-25-29(34)30(27-37-28)39-32(36)33(2,3)4/h12-13,25,27H,5-11,14-24,26H2,1-4H3/b13-12+
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n/an/a 160n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023511
PNG
(2,2-Dimethyl-propionic acid 4-benzoyl-2-(2-carboxy...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1CCC(O)=O)C(=O)c1ccccc1
Show InChI InChI=1S/C21H22O5/c1-21(2,3)20(25)26-17-11-9-16(13-15(17)10-12-18(22)23)19(24)14-7-5-4-6-8-14/h4-9,11,13H,10,12H2,1-3H3,(H,22,23)
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n/an/a 170n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-6 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023549
PNG
(4-(2,2-Dimethyl-propionyloxy)-benzoic acid 5-(2,2-...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)C(=O)OCc1cc(=O)c(OC(=O)C(C)(C)C)co1
Show InChI InChI=1S/C23H26O8/c1-22(2,3)20(26)30-15-9-7-14(8-10-15)19(25)29-12-16-11-17(24)18(13-28-16)31-21(27)23(4,5)6/h7-11,13H,12H2,1-6H3
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n/an/a 200n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023562
PNG
(CHEMBL9792 | Icos-11-enoic acid 5-(2,2-dimethyl-pr...)
Show SMILES CCCCCCCC\C=C\CCCCCCCCCC(=O)OCc1cc(=O)c(OC(=O)C(C)(C)C)co1
Show InChI InChI=1S/C31H50O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(33)36-24-26-23-27(32)28(25-35-26)37-30(34)31(2,3)4/h12-13,23,25H,5-11,14-22,24H2,1-4H3/b13-12+
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n/an/a 210n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023525
PNG
(CHEMBL10348 | Isobutyric acid 4-benzoyl-phenyl est...)
Show SMILES CC(C)C(=O)Oc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H16O3/c1-12(2)17(19)20-15-10-8-14(9-11-15)16(18)13-6-4-3-5-7-13/h3-12H,1-2H3
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n/an/a 250n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023552
PNG
(CHEMBL9802 | Octadec-9-enoic acid 5-(2,2-dimethyl-...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)OCc1cc(=O)c(OC(=O)C(C)(C)C)co1
Show InChI InChI=1S/C29H46O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(31)34-22-24-21-25(30)26(23-33-24)35-28(32)29(2,3)4/h12-13,21,23H,5-11,14-20,22H2,1-4H3/b13-12+
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n/an/a 300n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023536
PNG
(2,2-Dimethyl-propionic acid 4-benzoyl-2-(1-methyl-...)
Show SMILES CC(C=C)c1cc(ccc1OC(=O)C(C)(C)C)C(=O)c1ccccc1
Show InChI InChI=1S/C22H24O3/c1-6-15(2)18-14-17(20(23)16-10-8-7-9-11-16)12-13-19(18)25-21(24)22(3,4)5/h6-15H,1H2,2-5H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023530
PNG
(2,2-Dimethyl-propionic acid 4-benzoyl-2-(3-hydroxy...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1CCCO)C(=O)c1ccccc1
Show InChI InChI=1S/C21H24O4/c1-21(2,3)20(24)25-18-12-11-17(14-16(18)10-7-13-22)19(23)15-8-5-4-6-9-15/h4-6,8-9,11-12,14,22H,7,10,13H2,1-3H3
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n/an/a 350n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023543
PNG
(2,2-Dimethyl-propionic acid 2,3-bis-(2,2-dimethyl-...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(C(=O)c2cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c2)c(OC(=O)C(C)(C)C)c1OC(=O)C(C)(C)C
Show InChI InChI=1S/C43H58O13/c1-38(2,3)32(45)51-25-20-19-24(29(54-35(48)41(10,11)12)31(25)56-37(50)43(16,17)18)28(44)23-21-26(52-33(46)39(4,5)6)30(55-36(49)42(13,14)15)27(22-23)53-34(47)40(7,8)9/h19-22H,1-18H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023554
PNG
(2,2-Dimethyl-propionic acid 4-[4-(2,2-dimethyl-pro...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(Oc2ccc(OC(=O)C(C)(C)C)cc2)cc1
Show InChI InChI=1S/C22H26O5/c1-21(2,3)19(23)26-17-11-7-15(8-12-17)25-16-9-13-18(14-10-16)27-20(24)22(4,5)6/h7-14H,1-6H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023528
PNG
(2,2-Dimethyl-propionic acid 4-[4-(2,2-dimethyl-pro...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(Cc2ccc(OC(=O)C(C)(C)C)cc2)cc1
Show InChI InChI=1S/C23H28O4/c1-22(2,3)20(24)26-18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)27-21(25)23(4,5)6/h7-14H,15H2,1-6H3
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n/an/a 460n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023539
PNG
(2,2-Dimethyl-tetradecanoic acid 5-(2,2-dimethyl-pr...)
Show SMILES CCCCCCCCCCCCC(C)(C)C(=O)OCc1cc(=O)c(OC(=O)C(C)(C)C)co1
Show InChI InChI=1S/C27H44O6/c1-7-8-9-10-11-12-13-14-15-16-17-27(5,6)25(30)32-19-21-18-22(28)23(20-31-21)33-24(29)26(2,3)4/h18,20H,7-17,19H2,1-6H3
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n/an/a 600n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023563
PNG
(2,2-Dimethyl-propionic acid 4-benzoyl-phenyl ester...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C18H18O3/c1-18(2,3)17(20)21-15-11-9-14(10-12-15)16(19)13-7-5-4-6-8-13/h4-12H,1-3H3
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n/an/a 620n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023535
PNG
(2,2-Dimethyl-pentanoic acid 4-[4-(2,2-dimethyl-pen...)
Show SMILES CCCC(C)(C)C(=O)Oc1ccc(cc1)C(=O)c1ccc(OC(=O)C(C)(C)CCC)cc1
Show InChI InChI=1S/C27H34O5/c1-7-17-26(3,4)24(29)31-21-13-9-19(10-14-21)23(28)20-11-15-22(16-12-20)32-25(30)27(5,6)18-8-2/h9-16H,7-8,17-18H2,1-6H3
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n/an/a 670n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023560
PNG
(2,2-Dimethyl-propionic acid 2-allyl-4-benzoyl-phen...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1CC=C)C(=O)c1ccccc1
Show InChI InChI=1S/C21H22O3/c1-5-9-16-14-17(19(22)15-10-7-6-8-11-15)12-13-18(16)24-20(23)21(2,3)4/h5-8,10-14H,1,9H2,2-4H3
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n/an/a 800n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023556
PNG
(2,2-Dimethyl-propionic acid 4-benzoyl-2-(2-methyl-...)
Show SMILES CC(Cc1cc(ccc1OC(=O)C(C)(C)C)C(=O)c1ccccc1)C=O
Show InChI InChI=1S/C22H24O4/c1-15(14-23)12-18-13-17(20(24)16-8-6-5-7-9-16)10-11-19(18)26-21(25)22(2,3)4/h5-11,13-15H,12H2,1-4H3
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n/an/a 800n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023561
PNG
(2,2-Dimethyl-propionic acid 4-benzoyl-2-(2-methyl-...)
Show SMILES CC(=C)Cc1cc(ccc1OC(=O)C(C)(C)C)C(=O)c1ccccc1
Show InChI InChI=1S/C22H24O3/c1-15(2)13-18-14-17(20(23)16-9-7-6-8-10-16)11-12-19(18)25-21(24)22(3,4)5/h6-12,14H,1,13H2,2-5H3
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n/an/a 850n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023533
PNG
(CHEMBL10228 | Diphenyl-methanone-4,4'-di-(Carbonic...)
Show SMILES CC(C)(C)OC(=O)Oc1ccc(cc1)C(=O)c1ccc(OC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C23H26O7/c1-22(2,3)29-20(25)27-17-11-7-15(8-12-17)19(24)16-9-13-18(14-10-16)28-21(26)30-23(4,5)6/h7-14H,1-6H3
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n/an/a 900n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023527
PNG
(2,2-Dimethyl-malonic acid 4-benzoyl-phenyl ester m...)
Show SMILES COC(=O)C(C)(C)C(=O)Oc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H18O5/c1-19(2,17(21)23-3)18(22)24-15-11-9-14(10-12-15)16(20)13-7-5-4-6-8-13/h4-12H,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-6 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023553
PNG
(2,2-Dimethyl-propionic acid 4-oxo-6-trityloxymethy...)
Show SMILES CC(C)(C)C(=O)Oc1coc(COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1=O
Show InChI InChI=1S/C30H28O5/c1-29(2,3)28(32)35-27-21-33-25(19-26(27)31)20-34-30(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-19,21H,20H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-6 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023544
PNG
(CHEMBL9916 | Cyclopropanecarboxylic acid 4-benzoyl...)
Show SMILES O=C(Oc1ccc(cc1)C(=O)c1ccccc1)C1CC1
Show InChI InChI=1S/C17H14O3/c18-16(12-4-2-1-3-5-12)13-8-10-15(11-9-13)20-17(19)14-6-7-14/h1-5,8-11,14H,6-7H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-6 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023546
PNG
(3-Methyl-pentanoic acid 2-[2,4-bis-(3-methyl-penta...)
Show SMILES CCC(C)CC(=O)Oc1ccc(C(=O)c2ccc(OC(=O)CC(C)CC)cc2OC(=O)CC(C)CC)c(OC(=O)CC(C)CC)c1
Show InChI InChI=1S/C37H50O9/c1-9-23(5)17-33(38)43-27-13-15-29(31(21-27)45-35(40)19-25(7)11-3)37(42)30-16-14-28(44-34(39)18-24(6)10-2)22-32(30)46-36(41)20-26(8)12-4/h13-16,21-26H,9-12,17-20H2,1-8H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-6 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023564
PNG
(2,2-Dimethyl-propionic acid 4-benzoyl-2-(3-hydroxy...)
Show SMILES CC(CO)Cc1cc(ccc1OC(=O)C(C)(C)C)C(=O)c1ccccc1
Show InChI InChI=1S/C22H26O4/c1-15(14-23)12-18-13-17(20(24)16-8-6-5-7-9-16)10-11-19(18)26-21(25)22(2,3)4/h5-11,13,15,23H,12,14H2,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-6 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023568
PNG
(2,2-Dimethyl-propionic acid 4-{[4-(2,2-dimethyl-pr...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)C(O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C23H28O5/c1-22(2,3)20(25)27-17-11-7-15(8-12-17)19(24)16-9-13-18(14-10-16)28-21(26)23(4,5)6/h7-14,19,24H,1-6H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-6 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023514
PNG
(2,2-Dimethyl-propionic acid 4-(4-hydroxy-benzenesu...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C17H18O5S/c1-17(2,3)16(19)22-13-6-10-15(11-7-13)23(20,21)14-8-4-12(18)5-9-14/h4-11,18H,1-3H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-7 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023512
PNG
(2-Methyl-acrylic acid 4-benzoyl-phenyl ester | CHE...)
Show SMILES CC(=C)C(=O)Oc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H14O3/c1-12(2)17(19)20-15-10-8-14(9-11-15)16(18)13-6-4-3-5-7-13/h3-11H,1H2,2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-9 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023538
PNG
(Biphenyl-4-carboxylic acid 5-(2,2-dimethyl-propion...)
Show SMILES CC(C)(C)C(=O)Oc1coc(COC(=O)c2ccc(cc2)-c2ccccc2)cc1=O
Show InChI InChI=1S/C24H22O6/c1-24(2,3)23(27)30-21-15-28-19(13-20(21)25)14-29-22(26)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-6 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023516
PNG
(3-[5-Benzoyl-2-(2,2-dimethyl-propionyloxy)-phenyl]...)
Show SMILES CC(Cc1cc(ccc1OC(=O)C(C)(C)C)C(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H24O5/c1-14(20(24)25)12-17-13-16(19(23)15-8-6-5-7-9-15)10-11-18(17)27-21(26)22(2,3)4/h5-11,13-14H,12H2,1-4H3,(H,24,25)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-6 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023532
PNG
(2,2-Dimethyl-propionic acid 4-(4-hydroxy-benzoyl)-...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C18H18O4/c1-18(2,3)17(21)22-15-10-6-13(7-11-15)16(20)12-4-8-14(19)9-5-12/h4-11,19H,1-3H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-6 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023537
PNG
(CHEMBL10148 | Sodium; 3-{bis-[4-(2,2-dimethyl-prop...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)C(OC(=O)CCC([O-])=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C27H32O8/c1-26(2,3)24(31)33-19-11-7-17(8-12-19)23(35-22(30)16-15-21(28)29)18-9-13-20(14-10-18)34-25(32)27(4,5)6/h7-14,23H,15-16H2,1-6H3,(H,28,29)/p-1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-6 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50023571
PNG
(2-(2,2-Dimethyl-propionyloxy)-benzoic acid 5-(2,2-...)
Show SMILES CC(C)(C)C(=O)Oc1ccccc1C(=O)OCc1cc(=O)c(OC(=O)C(C)(C)C)co1
Show InChI InChI=1S/C23H26O8/c1-22(2,3)20(26)30-17-10-8-7-9-15(17)19(25)29-12-14-11-16(24)18(13-28-14)31-21(27)23(4,5)6/h7-11,13H,12H2,1-6H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase at 10e-6 M


J Med Chem 31: 1052-61 (1988)


BindingDB Entry DOI: 10.7270/Q2PC31DJ
More data for this
Ligand-Target Pair
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