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PubMed code 25408826

Compile data set for download or QSAR
Found 8 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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50032890
PNG
(CHEMBL3342780)
Show SMILES CS(=O)(=O)c1cc(ccc1C1N(C(=O)N2CC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)F)C#N
Show InChI InChI=1S/C25H20F2N4O5S/c1-37(35,36)20-11-14(13-28)5-6-17(20)22-21-18(7-8-19(21)32)30(16-4-2-3-15(12-16)23(26)27)25(34)31(22)24(33)29-9-10-29/h2-6,11-12,22-23H,7-10H2,1H3
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PubMed
n/an/a<1n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate after 15 mins by fluorescence assay


ACS Med Chem Lett 5: 1182-3 (2014)


Article DOI: 10.1021/ml500346u
BindingDB Entry DOI: 10.7270/Q2N29ZJC
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50032889
PNG
(CHEMBL3342779 | US9290459, 24 | US9670166, 24)
Show SMILES CCN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C24H20F3N3O4S/c1-3-29-22(17-8-7-14(13-28)11-20(17)35(2,33)34)21-18(9-10-19(21)31)30(23(29)32)16-6-4-5-15(12-16)24(25,26)27/h4-8,11-12,22H,3,9-10H2,1-2H3
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PubMed
n/an/a 1.60n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate after 15 mins by fluorescence assay


ACS Med Chem Lett 5: 1182-3 (2014)


Article DOI: 10.1021/ml500346u
BindingDB Entry DOI: 10.7270/Q2N29ZJC
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50032887
PNG
(CHEMBL3342777 | US9290459, 2 | US9670166, 2)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H16F3N3O2/c1-27-20(14-7-5-13(12-26)6-8-14)19-17(9-10-18(19)29)28(21(27)30)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,20H,9-10H2,1H3
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PubMed
n/an/a 2.40n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate after 15 mins by fluorescence assay


ACS Med Chem Lett 5: 1182-3 (2014)


Article DOI: 10.1021/ml500346u
BindingDB Entry DOI: 10.7270/Q2N29ZJC
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50032888
PNG
(CHEMBL3342778 | US9290459, 6.3 | US9670166, 6.3)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(CC(=O)N3CCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2
Show InChI InChI=1S/C26H21F3N4O3/c27-26(28,29)18-3-1-4-19(13-18)33-20-9-10-21(34)23(20)24(17-7-5-16(14-30)6-8-17)32(25(33)36)15-22(35)31-11-2-12-31/h1,3-8,13,24H,2,9-12,15H2
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n/an/a 3.70n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate after 15 mins by fluorescence assay


ACS Med Chem Lett 5: 1182-3 (2014)


Article DOI: 10.1021/ml500346u
BindingDB Entry DOI: 10.7270/Q2N29ZJC
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50032890
PNG
(CHEMBL3342780)
Show SMILES CS(=O)(=O)c1cc(ccc1C1N(C(=O)N2CC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)F)C#N
Show InChI InChI=1S/C25H20F2N4O5S/c1-37(35,36)20-11-14(13-28)5-6-17(20)22-21-18(7-8-19(21)32)30(16-4-2-3-15(12-16)23(26)27)25(34)31(22)24(33)29-9-10-29/h2-6,11-12,22-23H,7-10H2,1H3
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PubMed
n/an/an/an/a<1n/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase in human plasma using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1182-3 (2014)


Article DOI: 10.1021/ml500346u
BindingDB Entry DOI: 10.7270/Q2N29ZJC
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50032889
PNG
(CHEMBL3342779 | US9290459, 24 | US9670166, 24)
Show SMILES CCN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C24H20F3N3O4S/c1-3-29-22(17-8-7-14(13-28)11-20(17)35(2,33)34)21-18(9-10-19(21)31)30(23(29)32)16-6-4-5-15(12-16)24(25,26)27/h4-8,11-12,22H,3,9-10H2,1-2H3
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PubMed
n/an/an/an/a 2n/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase in human plasma using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1182-3 (2014)


Article DOI: 10.1021/ml500346u
BindingDB Entry DOI: 10.7270/Q2N29ZJC
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50032888
PNG
(CHEMBL3342778 | US9290459, 6.3 | US9670166, 6.3)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(CC(=O)N3CCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2
Show InChI InChI=1S/C26H21F3N4O3/c27-26(28,29)18-3-1-4-19(13-18)33-20-9-10-21(34)23(20)24(17-7-5-16(14-30)6-8-17)32(25(33)36)15-22(35)31-11-2-12-31/h1,3-8,13,24H,2,9-12,15H2
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n/an/an/an/a 4n/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase in human plasma using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1182-3 (2014)


Article DOI: 10.1021/ml500346u
BindingDB Entry DOI: 10.7270/Q2N29ZJC
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50032887
PNG
(CHEMBL3342777 | US9290459, 2 | US9670166, 2)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H16F3N3O2/c1-27-20(14-7-5-13(12-26)6-8-14)19-17(9-10-18(19)29)28(21(27)30)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,20H,9-10H2,1H3
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PubMed
n/an/an/an/a 3n/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase in human plasma using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1182-3 (2014)


Article DOI: 10.1021/ml500346u
BindingDB Entry DOI: 10.7270/Q2N29ZJC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%