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Articleid 50029411

Compile data set for download or QSAR
Found 46 hits of Enzyme Inhibition Constant Data   
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
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284219
PNG
(9-Benzyl-6-methoxy-1,9-dihydro-[1,3]oxazino[4,5-b]...)
Show SMILES COc1ccc2n(Cc3ccccc3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C18H14N2O4/c1-23-12-7-8-14-13(9-12)15-16(19-18(22)24-17(15)21)20(14)10-11-5-3-2-4-6-11/h2-9,21H,10H2,1H3
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Article
n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284208
PNG
(Acetic acid 9-benzyl-2,4-dioxo-1,2,4,9-tetrahydro-...)
Show SMILES CC(=O)Oc1ccc2n(Cc3ccccc3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C19H14N2O5/c1-11(22)25-13-7-8-15-14(9-13)16-17(20-19(24)26-18(16)23)21(15)10-12-5-3-2-4-6-12/h2-9,23H,10H2,1H3
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n/an/a 7.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284214
PNG
(Acetic acid 2,4-dioxo-9-phenethyl-1,2,4,9-tetrahyd...)
Show SMILES CC(=O)Oc1ccc2n(CCc3ccccc3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C20H16N2O5/c1-12(23)26-14-7-8-16-15(11-14)17-18(21-20(25)27-19(17)24)22(16)10-9-13-5-3-2-4-6-13/h2-8,11,24H,9-10H2,1H3
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n/an/a 9.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284204
PNG
(6-Methoxy-9-propyl-1,9-dihydro-[1,3]oxazino[4,5-b]...)
Show SMILES CCCn1c2ccc(OC)cc2c2c(O)oc(=O)nc12
Show InChI InChI=1S/C14H14N2O4/c1-3-6-16-10-5-4-8(19-2)7-9(10)11-12(16)15-14(18)20-13(11)17/h4-5,7,17H,3,6H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284222
PNG
(2,3-Dimethyl-1-phenethyl-1,7-dihydro-5-oxa-1,7-dia...)
Show SMILES Cc1c(C)c2c(O)oc(=O)nc2n1CCc1ccccc1
Show InChI InChI=1S/C16H16N2O3/c1-10-11(2)18(9-8-12-6-4-3-5-7-12)14-13(10)15(19)21-16(20)17-14/h3-7,19H,8-9H2,1-2H3
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n/an/a 1.05E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284211
PNG
(Acetic acid 2,4-dioxo-9-pyridin-2-ylmethyl-1,2,4,9...)
Show SMILES CC(=O)Oc1ccc2n(Cc3ccccn3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C18H13N3O5/c1-10(22)25-12-5-6-14-13(8-12)15-16(20-18(24)26-17(15)23)21(14)9-11-4-2-3-7-19-11/h2-8,23H,9H2,1H3
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n/an/a 2.92E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284202
PNG
(Acetic acid 2,4-dioxo-9-(3-phenyl-propyl)-1,2,4,9-...)
Show SMILES CC(=O)Oc1ccc2n(CCCc3ccccc3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C21H18N2O5/c1-13(24)27-15-9-10-17-16(12-15)18-19(22-21(26)28-20(18)25)23(17)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,25H,5,8,11H2,1H3
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n/an/a 3.05E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284205
PNG
(2,3-Dimethyl-1-(3-phenyl-propyl)-1,7-dihydro-5-oxa...)
Show SMILES Cc1c(C)c2c(O)oc(=O)nc2n1CCCc1ccccc1
Show InChI InChI=1S/C17H18N2O3/c1-11-12(2)19(10-6-9-13-7-4-3-5-8-13)15-14(11)16(20)22-17(21)18-15/h3-5,7-8,20H,6,9-10H2,1-2H3
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n/an/a 4.22E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284216
PNG
(Acetic acid 9-cyclohexyl-2,4-dioxo-1,2,4,9-tetrahy...)
Show SMILES CC(=O)Oc1ccc2n(C3CCCCC3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C18H18N2O5/c1-10(21)24-12-7-8-14-13(9-12)15-16(19-18(23)25-17(15)22)20(14)11-5-3-2-4-6-11/h7-9,11,22H,2-6H2,1H3
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n/an/a 4.54E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284220
PNG
(9-Butyl-6-methoxy-1,9-dihydro-[1,3]oxazino[4,5-b]i...)
Show SMILES CCCCn1c2ccc(OC)cc2c2c(O)oc(=O)nc12
Show InChI InChI=1S/C15H16N2O4/c1-3-4-7-17-11-6-5-9(20-2)8-10(11)12-13(17)16-15(19)21-14(12)18/h5-6,8,18H,3-4,7H2,1-2H3
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n/an/a 4.86E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284221
PNG
(1-Cyclohexyl-2,3-dimethyl-1,7-dihydro-5-oxa-1,7-di...)
Show SMILES Cc1c(C)c2c(O)oc(=O)nc2n1C1CCCCC1
Show InChI InChI=1S/C14H18N2O3/c1-8-9(2)16(10-6-4-3-5-7-10)12-11(8)13(17)19-14(18)15-12/h10,17H,3-7H2,1-2H3
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n/an/a 5.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284224
PNG
(6-Methoxy-9-pyridin-2-ylmethyl-1,9-dihydro-[1,3]ox...)
Show SMILES COc1ccc2n(Cc3ccccn3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C17H13N3O4/c1-23-11-5-6-13-12(8-11)14-15(19-17(22)24-16(14)21)20(13)9-10-4-2-3-7-18-10/h2-8,21H,9H2,1H3
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n/an/a 5.12E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against chymotrypsin using Suc-Ala-Ala-Pro-Phe-pNA (416 uM) as substrate


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284218
PNG
(Acetic acid 2,4-dioxo-9-propyl-1,2,4,9-tetrahydro-...)
Show SMILES CCCn1c2ccc(OC(C)=O)cc2c2c(O)oc(=O)nc12
Show InChI InChI=1S/C15H14N2O5/c1-3-6-17-11-5-4-9(21-8(2)18)7-10(11)12-13(17)16-15(20)22-14(12)19/h4-5,7,19H,3,6H2,1-2H3
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n/an/a 6.65E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284207
PNG
(1-Benzyl-2,3-dimethyl-1,7-dihydro-5-oxa-1,7-diaza-...)
Show SMILES Cc1c(C)c2c(O)oc(=O)nc2n1Cc1ccccc1
Show InChI InChI=1S/C15H14N2O3/c1-9-10(2)17(8-11-6-4-3-5-7-11)13-12(9)14(18)20-15(19)16-13/h3-7,18H,8H2,1-2H3
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n/an/a 7.40E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284215
PNG
(Acetic acid 9-(2,2-dimethoxy-ethyl)-2,4-dioxo-1,2,...)
Show SMILES COC(Cn1c2ccc(OC(C)=O)cc2c2c(O)oc(=O)nc12)OC
Show InChI InChI=1S/C16H16N2O7/c1-8(19)24-9-4-5-11-10(6-9)13-14(17-16(21)25-15(13)20)18(11)7-12(22-2)23-3/h4-6,12,20H,7H2,1-3H3
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n/an/a 7.42E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284206
PNG
(Acetic acid 9-butyl-2,4-dioxo-1,2,4,9-tetrahydro-[...)
Show SMILES CCCCn1c2ccc(OC(C)=O)cc2c2c(O)oc(=O)nc12
Show InChI InChI=1S/C16H16N2O5/c1-3-4-7-18-12-6-5-10(22-9(2)19)8-11(12)13-14(18)17-16(21)23-15(13)20/h5-6,8,20H,3-4,7H2,1-2H3
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n/an/a 8.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A


(Sus scrofa (Pig))
BDBM50284214
PNG
(Acetic acid 2,4-dioxo-9-phenethyl-1,2,4,9-tetrahyd...)
Show SMILES CC(=O)Oc1ccc2n(CCc3ccccc3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C20H16N2O5/c1-12(23)26-14-7-8-16-15(11-14)17-18(21-20(25)27-19(17)24)22(16)10-9-13-5-3-2-4-6-13/h2-8,11,24H,9-10H2,1H3
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n/an/a 8.33E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase using Suc-Ala-Ala-Ala-pNA (416 uM) as substrate


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284205
PNG
(2,3-Dimethyl-1-(3-phenyl-propyl)-1,7-dihydro-5-oxa...)
Show SMILES Cc1c(C)c2c(O)oc(=O)nc2n1CCCc1ccccc1
Show InChI InChI=1S/C17H18N2O3/c1-11-12(2)19(10-6-9-13-7-4-3-5-8-13)15-14(11)16(20)22-17(21)18-15/h3-5,7-8,20H,6,9-10H2,1-2H3
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n/an/a 8.95E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human leukocyte elastase using MeO-Suc-Ala-Ala-Pro-Val-pNA (416 uM) as substrate;No Inhibition


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284201
PNG
(6-Methoxy-9-(3-phenyl-propyl)-1,9-dihydro-[1,3]oxa...)
Show SMILES COc1ccc2n(CCCc3ccccc3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C20H18N2O4/c1-25-14-9-10-16-15(12-14)17-18(21-20(24)26-19(17)23)22(16)11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12,23H,5,8,11H2,1H3
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n/an/a 9.89E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human leukocyte elastase using MeO-Suc-Ala-Ala-Pro-Val-pNA (416 uM) as substrate


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284213
PNG
(6-Methoxy-9-phenethyl-1,9-dihydro-[1,3]oxazino[4,5...)
Show SMILES COc1ccc2n(CCc3ccccc3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C19H16N2O4/c1-24-13-7-8-15-14(11-13)16-17(20-19(23)25-18(16)22)21(15)10-9-12-5-3-2-4-6-12/h2-8,11,22H,9-10H2,1H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human leukocyte elastase using MeO-Suc-Ala-Ala-Pro-Val-pNA (416 uM) as substrate


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284224
PNG
(6-Methoxy-9-pyridin-2-ylmethyl-1,9-dihydro-[1,3]ox...)
Show SMILES COc1ccc2n(Cc3ccccn3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C17H13N3O4/c1-23-11-5-6-13-12(8-11)14-15(19-17(22)24-16(14)21)20(13)9-10-4-2-3-7-18-10/h2-8,21H,9H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284204
PNG
(6-Methoxy-9-propyl-1,9-dihydro-[1,3]oxazino[4,5-b]...)
Show SMILES CCCn1c2ccc(OC)cc2c2c(O)oc(=O)nc12
Show InChI InChI=1S/C14H14N2O4/c1-3-6-16-10-5-4-8(19-2)7-9(10)11-12(16)15-14(18)20-13(11)17/h4-5,7,17H,3,6H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284219
PNG
(9-Benzyl-6-methoxy-1,9-dihydro-[1,3]oxazino[4,5-b]...)
Show SMILES COc1ccc2n(Cc3ccccc3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C18H14N2O4/c1-23-12-7-8-14-13(9-12)15-16(19-18(22)24-17(15)21)20(14)10-11-5-3-2-4-6-11/h2-9,21H,10H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284208
PNG
(Acetic acid 9-benzyl-2,4-dioxo-1,2,4,9-tetrahydro-...)
Show SMILES CC(=O)Oc1ccc2n(Cc3ccccc3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C19H14N2O5/c1-11(22)25-13-7-8-15-14(9-13)16-17(20-19(24)26-18(16)23)21(15)10-12-5-3-2-4-6-12/h2-9,23H,10H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284201
PNG
(6-Methoxy-9-(3-phenyl-propyl)-1,9-dihydro-[1,3]oxa...)
Show SMILES COc1ccc2n(CCCc3ccccc3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C20H18N2O4/c1-25-14-9-10-16-15(12-14)17-18(21-20(24)26-19(17)23)22(16)11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12,23H,5,8,11H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284211
PNG
(Acetic acid 2,4-dioxo-9-pyridin-2-ylmethyl-1,2,4,9...)
Show SMILES CC(=O)Oc1ccc2n(Cc3ccccn3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C18H13N3O5/c1-10(22)25-12-5-6-14-13(8-12)15-16(20-18(24)26-17(15)23)21(14)9-11-4-2-3-7-19-11/h2-8,23H,9H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284203
PNG
(9-(2,2-Dimethoxy-ethyl)-6-methoxy-1,9-dihydro-[1,3...)
Show SMILES COC(Cn1c2ccc(OC)cc2c2c(O)oc(=O)nc12)OC
Show InChI InChI=1S/C15H16N2O6/c1-20-8-4-5-10-9(6-8)12-13(16-15(19)23-14(12)18)17(10)7-11(21-2)22-3/h4-6,11,18H,7H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284216
PNG
(Acetic acid 9-cyclohexyl-2,4-dioxo-1,2,4,9-tetrahy...)
Show SMILES CC(=O)Oc1ccc2n(C3CCCCC3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C18H18N2O5/c1-10(21)24-12-7-8-14-13(9-12)15-16(19-18(23)25-17(15)22)20(14)11-5-3-2-4-6-11/h7-9,11,22H,2-6H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284212
PNG
(9-Cyclohexyl-6-methoxy-1,9-dihydro-[1,3]oxazino[4,...)
Show SMILES COc1ccc2n(C3CCCCC3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C17H18N2O4/c1-22-11-7-8-13-12(9-11)14-15(18-17(21)23-16(14)20)19(13)10-5-3-2-4-6-10/h7-10,20H,2-6H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284214
PNG
(Acetic acid 2,4-dioxo-9-phenethyl-1,2,4,9-tetrahyd...)
Show SMILES CC(=O)Oc1ccc2n(CCc3ccccc3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C20H16N2O5/c1-12(23)26-14-7-8-16-15(11-14)17-18(21-20(25)27-19(17)24)22(16)10-9-13-5-3-2-4-6-13/h2-8,11,24H,9-10H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284218
PNG
(Acetic acid 2,4-dioxo-9-propyl-1,2,4,9-tetrahydro-...)
Show SMILES CCCn1c2ccc(OC(C)=O)cc2c2c(O)oc(=O)nc12
Show InChI InChI=1S/C15H14N2O5/c1-3-6-17-11-5-4-9(21-8(2)18)7-10(11)12-13(17)16-15(20)22-14(12)19/h4-5,7,19H,3,6H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284217
PNG
(Acetic acid 9-(2-methoxy-ethyl)-2,4-dioxo-1,2,4,9-...)
Show SMILES COCCn1c2ccc(OC(C)=O)cc2c2c(O)oc(=O)nc12
Show InChI InChI=1S/C15H14N2O6/c1-8(18)22-9-3-4-11-10(7-9)12-13(17(11)5-6-21-2)16-15(20)23-14(12)19/h3-4,7,19H,5-6H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284210
PNG
(6-Methoxy-9-(2-methoxy-ethyl)-1,9-dihydro-[1,3]oxa...)
Show SMILES COCCn1c2ccc(OC)cc2c2c(O)oc(=O)nc12
Show InChI InChI=1S/C14H14N2O5/c1-19-6-5-16-10-4-3-8(20-2)7-9(10)11-12(16)15-14(18)21-13(11)17/h3-4,7,17H,5-6H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284203
PNG
(9-(2,2-Dimethoxy-ethyl)-6-methoxy-1,9-dihydro-[1,3...)
Show SMILES COC(Cn1c2ccc(OC)cc2c2c(O)oc(=O)nc12)OC
Show InChI InChI=1S/C15H16N2O6/c1-20-8-4-5-10-9(6-8)12-13(16-15(19)23-14(12)18)17(10)7-11(21-2)22-3/h4-6,11,18H,7H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A


(Sus scrofa (Pig))
BDBM50284206
PNG
(Acetic acid 9-butyl-2,4-dioxo-1,2,4,9-tetrahydro-[...)
Show SMILES CCCCn1c2ccc(OC(C)=O)cc2c2c(O)oc(=O)nc12
Show InChI InChI=1S/C16H16N2O5/c1-3-4-7-18-12-6-5-10(22-9(2)19)8-11(12)13-14(18)17-16(21)23-15(13)20/h5-6,8,20H,3-4,7H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase using Suc-Ala-Ala-Ala-pNA (416 uM) as substrate


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A


(Sus scrofa (Pig))
BDBM50284202
PNG
(Acetic acid 2,4-dioxo-9-(3-phenyl-propyl)-1,2,4,9-...)
Show SMILES CC(=O)Oc1ccc2n(CCCc3ccccc3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C21H18N2O5/c1-13(24)27-15-9-10-17-16(12-15)18-19(22-21(26)28-20(18)25)23(17)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,25H,5,8,11H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase using Suc-Ala-Ala-Ala-pNA (416 uM) as substrate


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284215
PNG
(Acetic acid 9-(2,2-dimethoxy-ethyl)-2,4-dioxo-1,2,...)
Show SMILES COC(Cn1c2ccc(OC(C)=O)cc2c2c(O)oc(=O)nc12)OC
Show InChI InChI=1S/C16H16N2O7/c1-8(19)24-9-4-5-11-10(6-9)13-14(17-16(21)25-15(13)20)18(11)7-12(22-2)23-3/h4-6,12,20H,7H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284213
PNG
(6-Methoxy-9-phenethyl-1,9-dihydro-[1,3]oxazino[4,5...)
Show SMILES COc1ccc2n(CCc3ccccc3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C19H16N2O4/c1-24-13-7-8-15-14(11-13)16-17(20-19(23)25-18(16)22)21(15)10-9-12-5-3-2-4-6-12/h2-8,11,22H,9-10H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284220
PNG
(9-Butyl-6-methoxy-1,9-dihydro-[1,3]oxazino[4,5-b]i...)
Show SMILES CCCCn1c2ccc(OC)cc2c2c(O)oc(=O)nc12
Show InChI InChI=1S/C15H16N2O4/c1-3-4-7-17-11-6-5-9(20-2)8-10(11)12-13(17)16-15(19)21-14(12)18/h5-6,8,18H,3-4,7H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284202
PNG
(Acetic acid 2,4-dioxo-9-(3-phenyl-propyl)-1,2,4,9-...)
Show SMILES CC(=O)Oc1ccc2n(CCCc3ccccc3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C21H18N2O5/c1-13(24)27-15-9-10-17-16(12-15)18-19(22-21(26)28-20(18)25)23(17)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,25H,5,8,11H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284209
PNG
(1-Butyl-2,3-dimethyl-1,7-dihydro-5-oxa-1,7-diaza-i...)
Show SMILES CCCCn1c(C)c(C)c2c(O)oc(=O)nc12
Show InChI InChI=1S/C12H16N2O3/c1-4-5-6-14-8(3)7(2)9-10(14)13-12(16)17-11(9)15/h15H,4-6H2,1-3H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284209
PNG
(1-Butyl-2,3-dimethyl-1,7-dihydro-5-oxa-1,7-diaza-i...)
Show SMILES CCCCn1c(C)c(C)c2c(O)oc(=O)nc12
Show InChI InChI=1S/C12H16N2O3/c1-4-5-6-14-8(3)7(2)9-10(14)13-12(16)17-11(9)15/h15H,4-6H2,1-3H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284223
PNG
(2,3-Dimethyl-1-pyridin-2-ylmethyl-1,7-dihydro-5-ox...)
Show SMILES Cc1c(C)c2c(O)oc(=O)nc2n1Cc1ccccn1
Show InChI InChI=1S/C14H13N3O3/c1-8-9(2)17(7-10-5-3-4-6-15-10)12-11(8)13(18)20-14(19)16-12/h3-6,18H,7H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284206
PNG
(Acetic acid 9-butyl-2,4-dioxo-1,2,4,9-tetrahydro-[...)
Show SMILES CCCCn1c2ccc(OC(C)=O)cc2c2c(O)oc(=O)nc12
Show InChI InChI=1S/C16H16N2O5/c1-3-4-7-18-12-6-5-10(22-9(2)19)8-11(12)13-14(18)17-16(21)23-15(13)20/h5-6,8,20H,3-4,7H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284221
PNG
(1-Cyclohexyl-2,3-dimethyl-1,7-dihydro-5-oxa-1,7-di...)
Show SMILES Cc1c(C)c2c(O)oc(=O)nc2n1C1CCCCC1
Show InChI InChI=1S/C14H18N2O3/c1-8-9(2)16(10-6-4-3-5-7-10)12-11(8)13(17)19-14(18)15-12/h10,17H,3-7H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284212
PNG
(9-Cyclohexyl-6-methoxy-1,9-dihydro-[1,3]oxazino[4,...)
Show SMILES COc1ccc2n(C3CCCCC3)c3nc(=O)oc(O)c3c2c1
Show InChI InChI=1S/C17H18N2O4/c1-22-11-7-8-13-12(9-11)14-15(18-17(21)23-16(14)20)19(13)10-5-3-2-4-6-10/h7-10,20H,2-6H2,1H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%