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PubMed code 915907

Compile data set for download or QSAR
Found 6 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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50016904
PNG
(CHEMBL3273012)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NN(C)C(=O)O[C@@H](C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C25H36N6O7/c1-15(27-18(4)32)21(33)28-16(2)24(36)31-13-9-12-20(31)23(35)29-30(5)25(37)38-17(3)22(34)26-14-19-10-7-6-8-11-19/h6-8,10-11,15-17,20H,9,12-14H2,1-5H3,(H,26,34)(H,27,32)(H,28,33)(H,29,35)/t15-,16-,17-,20-/m0/s1
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2.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis


J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50016905
PNG
(CHEMBL3273010)
Show SMILES CNC(=O)[C@H](C)OC(=O)N(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C19H32N6O7/c1-10(21-13(4)26)15(27)22-11(2)18(30)25-9-7-8-14(25)17(29)23-24(6)19(31)32-12(3)16(28)20-5/h10-12,14H,7-9H2,1-6H3,(H,20,28)(H,21,26)(H,22,27)(H,23,29)/t10-,11-,12-,14-/m0/s1
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3.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis


J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50016903
PNG
(CHEMBL3273013)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NN(C)C(=O)O[C@@H](C)C(=O)NN |r|
Show InChI InChI=1S/C18H31N7O7/c1-9(20-12(4)26)14(27)21-10(2)17(30)25-8-6-7-13(25)16(29)23-24(5)18(31)32-11(3)15(28)22-19/h9-11,13H,6-8,19H2,1-5H3,(H,20,26)(H,21,27)(H,22,28)(H,23,29)/t9-,10-,11-,13-/m0/s1
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3.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis


J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50016906
PNG
(CHEMBL3273009)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)NN(C)C(=O)OC(C)C(N)=O |r|
Show InChI InChI=1S/C20H32N6O7/c1-11(22-17(29)14-7-5-9-25(14)13(3)27)19(31)26-10-6-8-15(26)18(30)23-24(4)20(32)33-12(2)16(21)28/h11-12,14-15H,5-10H2,1-4H3,(H2,21,28)(H,22,29)(H,23,30)/t11-,12?,14-,15-/m0/s1
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3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis


J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50016930
PNG
(CHEMBL3273008)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NN(C)C(=O)O[C@@H](C)C(N)=O |r|
Show InChI InChI=1S/C18H30N6O7/c1-9(20-12(4)25)15(27)21-10(2)17(29)24-8-6-7-13(24)16(28)22-23(5)18(30)31-11(3)14(19)26/h9-11,13H,6-8H2,1-5H3,(H2,19,26)(H,20,25)(H,21,27)(H,22,28)/t9-,10-,11-,13-/m0/s1
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3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis


J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50016929
PNG
(CHEMBL3273011)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NN(C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H34N6O7/c1-14(25-17(4)31)20(32)26-15(2)23(35)30-13-9-12-19(30)22(34)28-29(5)24(36)37-16(3)21(33)27-18-10-7-6-8-11-18/h6-8,10-11,14-16,19H,9,12-13H2,1-5H3,(H,25,31)(H,26,32)(H,27,33)(H,28,34)/t14-,15-,16-,19-/m0/s1
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3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis


J Med Chem 20: 1464-8 (1977)


BindingDB Entry DOI: 10.7270/Q2WQ05BG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%