BindingDB logo
myBDB logout

PubMed code 7837246

Compile data set for download or QSAR
Found 39 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))		BDBM50036095
PNG
(2-[5-Cyclohexanesulfonylamino-2-(4-fluoro-phenyl)-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NS(=O)(=O)C2CCCCC2)c1=O)-c1ccc(F)cc1)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C28H40BFN4O6S/c1-18(2)24(29-39-27(3,4)28(5,6)40-29)32-23(35)17-34-25(19-12-14-20(30)15-13-19)31-16-22(26(34)36)33-41(37,38)21-10-8-7-9-11-21/h12-16,18,21,24,33H,7-11,17H2,1-6H3,(H,32,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.210n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036124
PNG
((2-(4-Fluoro-phenyl)-1-{[2-methyl-1-(4,4,5,5-tetra...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2c(C)cncc2C)c1=O)-c1ccc(F)cc1)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C31H39BFN5O6/c1-18(2)26(32-43-30(5,6)31(7,8)44-32)37-25(39)16-38-27(21-9-11-22(33)12-10-21)35-15-24(28(38)40)36-29(41)42-17-23-19(3)13-34-14-20(23)4/h9-15,18,26H,16-17H2,1-8H3,(H,36,41)(H,37,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.960n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036109
PNG
(2-[5-Cyclohexanesulfonylamino-2-(4-fluoro-phenyl)-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NS(=O)(=O)C2CCCCC2)c1=O)-c1ccc(F)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H28F4N4O5S/c1-14(2)20(21(34)24(26,27)28)30-19(33)13-32-22(15-8-10-16(25)11-9-15)29-12-18(23(32)35)31-38(36,37)17-6-4-3-5-7-17/h8-12,14,17,20,31H,3-7,13H2,1-2H3,(H,30,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036100
PNG
(CHEMBL11398 | {2-(4-Amino-phenyl)-6-oxo-1-[(3,3,3-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(N)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H26F3N5O5/c1-15(2)21(22(36)26(27,28)29)33-20(35)13-34-23(17-8-10-18(30)11-9-17)31-12-19(24(34)37)32-25(38)39-14-16-6-4-3-5-7-16/h3-12,15,21H,13-14,30H2,1-2H3,(H,32,38)(H,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036090
PNG
(2-(5-Amino-6-oxo-2-thiophen-2-yl-6H-pyrimidin-1-yl...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(N)c1=O)-c1cccs1)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C20H29BN4O4S/c1-12(2)16(21-28-19(3,4)20(5,6)29-21)24-15(26)11-25-17(14-8-7-9-30-14)23-10-13(22)18(25)27/h7-10,12,16H,11,22H2,1-6H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4.90n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036127
PNG
(CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H26F3N3O5/c1-17(2)23(24(35)27(28,29)30)32-22(34)15-33-21(19-11-7-4-8-12-19)14-13-20(25(33)36)31-26(37)38-16-18-9-5-3-6-10-18/h3-14,17,23H,15-16H2,1-2H3,(H,31,37)(H,32,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 5.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036104
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C22H30BFN4O4/c1-13(2)18(23-31-21(3,4)22(5,6)32-23)27-17(29)12-28-19(26-11-16(25)20(28)30)14-7-9-15(24)10-8-14/h7-11,13,18H,12,25H2,1-6H3,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 6.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036112
PNG
(CHEMBL11403 | {6-Oxo-2-phenyl-1-[(3,3,3-trifluoro-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H25F3N4O5/c1-16(2)21(22(35)26(27,28)29)32-20(34)14-33-23(18-11-7-4-8-12-18)30-13-19(24(33)36)31-25(37)38-15-17-9-5-3-6-10-17/h3-13,16,21H,14-15H2,1-2H3,(H,31,37)(H,32,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 6.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036108
PNG
((2-(4-Fluoro-phenyl)-1-{[2-methyl-1-(4,4,5,5-tetra...)
Show SMILES COC(=O)Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(B2OC(C)(C)C(C)(C)O2)C(C)C)c1=O
Show InChI InChI=1S/C24H32BFN4O6/c1-14(2)19(25-35-23(3,4)24(5,6)36-25)29-18(31)13-30-20(15-8-10-16(26)11-9-15)27-12-17(21(30)32)28-22(33)34-7/h8-12,14,19H,13H2,1-7H3,(H,28,33)(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 7.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036111
PNG
(CHEMBL11335 | {2-(4-Methoxy-phenyl)-6-oxo-1-[(3,3,...)
Show SMILES COc1ccc(cc1)-c1ncc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H27F3N4O6/c1-16(2)22(23(36)27(28,29)30)33-21(35)14-34-24(18-9-11-19(39-3)12-10-18)31-13-20(25(34)37)32-26(38)40-15-17-7-5-4-6-8-17/h4-13,16,22H,14-15H2,1-3H3,(H,32,38)(H,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 8.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036103
PNG
(CHEMBL11098 | {2-(4-Fluoro-phenyl)-6-oxo-1-[(3,3,3...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(F)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H24F4N4O5/c1-15(2)21(22(36)26(28,29)30)33-20(35)13-34-23(17-8-10-18(27)11-9-17)31-12-19(24(34)37)32-25(38)39-14-16-6-4-3-5-7-16/h3-12,15,21H,13-14H2,1-2H3,(H,32,38)(H,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 8.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036098
PNG
(CHEMBL11347 | {2-(4-Formylamino-phenyl)-6-oxo-1-[(...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(NC=O)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O6/c1-16(2)22(23(38)27(28,29)30)34-21(37)13-35-24(18-8-10-19(11-9-18)32-15-36)31-12-20(25(35)39)33-26(40)41-14-17-6-4-3-5-7-17/h3-12,15-16,22H,13-14H2,1-2H3,(H,32,36)(H,33,40)(H,34,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 9n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036113
PNG
(CHEMBL10975 | {6-Oxo-2-thiophen-2-yl-1-[(3,3,3-tri...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)-c1cccs1)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H23F3N4O5S/c1-14(2)19(20(33)24(25,26)27)30-18(32)12-31-21(17-9-6-10-37-17)28-11-16(22(31)34)29-23(35)36-13-15-7-4-3-5-8-15/h3-11,14,19H,12-13H2,1-2H3,(H,29,35)(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 11n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036118
PNG
(2-[2-(4-Amino-phenyl)-5-methanesulfonylamino-6-oxo...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NS(C)(=O)=O)c1=O)-c1ccc(N)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O5S/c1-10(2)15(16(29)19(20,21)22)25-14(28)9-27-17(11-4-6-12(23)7-5-11)24-8-13(18(27)30)26-33(3,31)32/h4-8,10,15,26H,9,23H2,1-3H3,(H,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
 15n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036106
PNG
(CHEMBL10869 | {6-Oxo-2-phenyl-1-[(3,3,3-trifluoro-...)
Show SMILES CSC(=O)Nc1cnc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c1=O
Show InChI InChI=1S/C20H21F3N4O4S/c1-11(2)15(16(29)20(21,22)23)26-14(28)10-27-17(12-7-5-4-6-8-12)24-9-13(18(27)30)25-19(31)32-3/h4-9,11,15H,10H2,1-3H3,(H,25,31)(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 16n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036116
PNG
(CHEMBL418707 | {2-(4-Nitro-phenyl)-6-oxo-1-[(3,3,3...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(cc1)[N+]([O-])=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H24F3N5O7/c1-15(2)21(22(36)26(27,28)29)32-20(35)13-33-23(17-8-10-18(11-9-17)34(39)40)30-12-19(24(33)37)31-25(38)41-14-16-6-4-3-5-7-16/h3-12,15,21H,13-14H2,1-2H3,(H,31,38)(H,32,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 17n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036117
PNG
(CHEMBL11246 | {2-(4-Chloro-phenyl)-6-oxo-1-[(3,3,3...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(Cl)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H24ClF3N4O5/c1-15(2)21(22(36)26(28,29)30)33-20(35)13-34-23(17-8-10-18(27)11-9-17)31-12-19(24(34)37)32-25(38)39-14-16-6-4-3-5-7-16/h3-12,15,21H,13-14H2,1-2H3,(H,32,38)(H,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 18n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036128
PNG
(CHEMBL275558 | {2-(3,5-Difluoro-phenyl)-6-oxo-1-[(...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)-c1cc(F)cc(F)c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H23F5N4O5/c1-14(2)21(22(37)26(29,30)31)34-20(36)12-35-23(16-8-17(27)10-18(28)9-16)32-11-19(24(35)38)33-25(39)40-13-15-6-4-3-5-7-15/h3-11,14,21H,12-13H2,1-2H3,(H,33,39)(H,34,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036097
PNG
(CHEMBL276680 | {2-(4-Fluoro-phenyl)-6-oxo-1-[(3,3,...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccn2)c1=O)-c1ccc(F)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H23F4N5O5/c1-14(2)20(21(36)25(27,28)29)33-19(35)12-34-22(15-6-8-16(26)9-7-15)31-11-18(23(34)37)32-24(38)39-13-17-5-3-4-10-30-17/h3-11,14,20H,12-13H2,1-2H3,(H,32,38)(H,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 22n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036125
PNG
(CHEMBL276174 | {2-(4-Fluoro-phenyl)-6-oxo-1-[(3,3,...)
Show SMILES CSC(=O)Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c1=O
Show InChI InChI=1S/C20H20F4N4O4S/c1-10(2)15(16(30)20(22,23)24)27-14(29)9-28-17(11-4-6-12(21)7-5-11)25-8-13(18(28)31)26-19(32)33-3/h4-8,10,15H,9H2,1-3H3,(H,26,32)(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 23n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036119
PNG
(CHEMBL11144 | {2-(4-Fluoro-phenyl)-6-oxo-1-[(3,3,3...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccncc2)c1=O)-c1ccc(F)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H23F4N5O5/c1-14(2)20(21(36)25(27,28)29)33-19(35)12-34-22(16-3-5-17(26)6-4-16)31-11-18(23(34)37)32-24(38)39-13-15-7-9-30-10-8-15/h3-11,14,20H,12-13H2,1-2H3,(H,32,38)(H,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 23n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036092
PNG
(2-(5-Ethylamino-6-oxo-2-thiophen-2-yl-6H-pyrimidin...)
Show SMILES CCNc1cnc(-c2cccs2)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c1=O
Show InChI InChI=1S/C18H21F3N4O3S/c1-4-22-11-8-23-16(12-6-5-7-29-12)25(17(11)28)9-13(26)24-14(10(2)3)15(27)18(19,20)21/h5-8,10,14,22H,4,9H2,1-3H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 26n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036114
PNG
(CHEMBL274674 | {6-Oxo-2-thiophen-2-yl-1-[(3,3,3-tr...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OC(C)(C)C)c1=O)-c1cccs1)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H25F3N4O5S/c1-11(2)15(16(30)21(22,23)24)27-14(29)10-28-17(13-7-6-8-34-13)25-9-12(18(28)31)26-19(32)33-20(3,4)5/h6-9,11,15H,10H2,1-5H3,(H,26,32)(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 27n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036121
PNG
(CHEMBL11032 | {6-Oxo-2-pyridin-3-yl-1-[(3,3,3-trif...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)-c1cccnc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H24F3N5O5/c1-15(2)20(21(35)25(26,27)28)32-19(34)13-33-22(17-9-6-10-29-11-17)30-12-18(23(33)36)31-24(37)38-14-16-7-4-3-5-8-16/h3-12,15,20H,13-14H2,1-2H3,(H,31,37)(H,32,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 33n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036120
PNG
(CHEMBL273449 | {6-Oxo-2-phenyl-1-[(3,3,3-trifluoro...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCC(F)(F)F)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H20F6N4O5/c1-11(2)15(16(33)21(25,26)27)30-14(32)9-31-17(12-6-4-3-5-7-12)28-8-13(18(31)34)29-19(35)36-10-20(22,23)24/h3-8,11,15H,9-10H2,1-2H3,(H,29,35)(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 40n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036122
PNG
(CHEMBL11336 | {2-(4-Fluoro-phenyl)-6-oxo-1-[(3,3,3...)
Show SMILES COC(=O)Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c1=O
Show InChI InChI=1S/C20H20F4N4O5/c1-10(2)15(16(30)20(22,23)24)27-14(29)9-28-17(11-4-6-12(21)7-5-11)25-8-13(18(28)31)26-19(32)33-3/h4-8,10,15H,9H2,1-3H3,(H,26,32)(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 40n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036123
PNG
(CHEMBL11383 | {6-Oxo-2-thiophen-2-yl-1-[(3,3,3-tri...)
Show SMILES COC(=O)Nc1cnc(-c2cccs2)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c1=O
Show InChI InChI=1S/C18H19F3N4O5S/c1-9(2)13(14(27)18(19,20)21)24-12(26)8-25-15(11-5-4-6-31-11)22-7-10(16(25)28)23-17(29)30-3/h4-7,9,13H,8H2,1-3H3,(H,23,29)(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 42n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036107
PNG
(CHEMBL273981 | [6-Oxo-1-[(3,3,3-trifluoro-1-isopro...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(cc1)C(F)(F)F)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H24F6N4O5/c1-15(2)21(22(39)27(31,32)33)36-20(38)13-37-23(17-8-10-18(11-9-17)26(28,29)30)34-12-19(24(37)40)35-25(41)42-14-16-6-4-3-5-7-16/h3-12,15,21H,13-14H2,1-2H3,(H,35,41)(H,36,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 42n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036091
PNG
(CHEMBL274780 | {6-Oxo-2-[4-(2,2,2-trifluoro-acetyl...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(NC(=O)C(F)(F)F)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H25F6N5O6/c1-15(2)21(22(41)27(29,30)31)38-20(40)13-39-23(17-8-10-18(11-9-17)36-25(43)28(32,33)34)35-12-19(24(39)42)37-26(44)45-14-16-6-4-3-5-7-16/h3-12,15,21H,13-14H2,1-2H3,(H,36,43)(H,37,44)(H,38,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 43n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036110
PNG
(2-[2-(4-Fluoro-phenyl)-5-methylamino-6-oxo-6H-pyri...)
Show SMILES CNc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c1=O
Show InChI InChI=1S/C19H20F4N4O3/c1-10(2)15(16(29)19(21,22)23)26-14(28)9-27-17(11-4-6-12(20)7-5-11)25-8-13(24-3)18(27)30/h4-8,10,15,24H,9H2,1-3H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 46n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036094
PNG
(CHEMBL275455 | {6-Oxo-2-thiophen-2-yl-1-[(3,3,3-tr...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCC(F)(F)F)c1=O)-c1cccs1)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H18F6N4O5S/c1-9(2)13(14(31)19(23,24)25)28-12(30)7-29-15(11-4-3-5-35-11)26-6-10(16(29)32)27-17(33)34-8-18(20,21)22/h3-6,9,13H,7-8H2,1-2H3,(H,27,33)(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 48n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036126
PNG
(2-(5-Amino-6-oxo-2-thiophen-2-yl-6H-pyrimidin-1-yl...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(N)c1=O)-c1cccs1)C(=O)C(F)(F)F
Show InChI InChI=1S/C16H17F3N4O3S/c1-8(2)12(13(25)16(17,18)19)22-11(24)7-23-14(10-4-3-5-27-10)21-6-9(20)15(23)26/h3-6,8,12H,7,20H2,1-2H3,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 52n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036105
PNG
(CHEMBL11428 | {2-Cyclohexyl-6-oxo-1-[(3,3,3-triflu...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)C1CCCCC1)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H31F3N4O5/c1-16(2)21(22(35)26(27,28)29)32-20(34)14-33-23(18-11-7-4-8-12-18)30-13-19(24(33)36)31-25(37)38-15-17-9-5-3-6-10-17/h3,5-6,9-10,13,16,18,21H,4,7-8,11-12,14-15H2,1-2H3,(H,31,37)(H,32,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 57n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036101
PNG
(CHEMBL11070 | {2-(3,5-Bis-trifluoromethyl-phenyl)-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H23F9N4O5/c1-14(2)21(22(43)28(35,36)37)40-20(42)12-41-23(16-8-17(26(29,30)31)10-18(9-16)27(32,33)34)38-11-19(24(41)44)39-25(45)46-13-15-6-4-3-5-7-15/h3-11,14,21H,12-13H2,1-2H3,(H,39,45)(H,40,42)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 72n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036115
PNG
(2,2,2-Trifluoro-N-{6-oxo-2-phenyl-1-[(3,3,3-triflu...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)C(F)(F)F)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H18F6N4O4/c1-10(2)14(15(32)19(21,22)23)29-13(31)9-30-16(11-6-4-3-5-7-11)27-8-12(17(30)33)28-18(34)20(24,25)26/h3-8,10,14H,9H2,1-2H3,(H,28,34)(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 94n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036099
PNG
(2-(5-Formylamino-6-oxo-2-thiophen-2-yl-6H-pyrimidi...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC=O)c1=O)-c1cccs1)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H17F3N4O4S/c1-9(2)13(14(27)17(18,19)20)23-12(26)7-24-15(11-4-3-5-29-11)21-6-10(16(24)28)22-8-25/h3-6,8-9,13H,7H2,1-2H3,(H,22,25)(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 100n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036093
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C18H18F4N4O3/c1-9(2)14(15(28)18(20,21)22)25-13(27)8-26-16(24-7-12(23)17(26)29)10-3-5-11(19)6-4-10/h3-7,9,14H,8,23H2,1-2H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 101n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036096
PNG
(CHEMBL11334 | {2-Isopropyl-6-oxo-1-[(3,3,3-trifluo...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H27F3N4O5/c1-13(2)18(19(32)23(24,25)26)29-17(31)11-30-20(14(3)4)27-10-16(21(30)33)28-22(34)35-12-15-8-6-5-7-9-15/h5-10,13-14,18H,11-12H2,1-4H3,(H,28,34)(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 170n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036102
PNG
(2-[5-Amino-2-(3,5-difluoro-phenyl)-6-oxo-6H-pyrimi...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(N)c1=O)-c1cc(F)cc(F)c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C18H17F5N4O3/c1-8(2)14(15(29)18(21,22)23)26-13(28)7-27-16(25-6-12(24)17(27)30)9-3-10(19)5-11(20)4-9/h3-6,8,14H,7,24H2,1-2H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 270n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%