BindingDB logo
myBDB logout

PubMed code 7799404

Compile data set for download or QSAR
Found 22 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))		BDBM50035489
PNG
((S)-1-{(S)-3-Methyl-2-[4-(morpholine-4-sulfonyl)-b...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C28H37F5N4O7S/c1-16(2)21(23(38)27(29,30)28(31,32)33)34-25(40)20-6-5-11-37(20)26(41)22(17(3)4)35-24(39)18-7-9-19(10-8-18)45(42,43)36-12-14-44-15-13-36/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,34,40)(H,35,39)/t20-,21?,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents
PubMed
 2n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035500
PNG
((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H34ClF3N4O7S/c1-16(2)23(25(39)30(32,33)34)35-28(42)22-6-5-15-38(22)29(43)24(17(3)4)36-26(40)18-7-9-19(10-8-18)27(41)37-46(44,45)21-13-11-20(31)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)/t22-,23?,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 3n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035488
PNG
((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C31H34ClF5N4O7S/c1-16(2)23(25(42)30(33,34)31(35,36)37)38-28(45)22-6-5-15-41(22)29(46)24(17(3)4)39-26(43)18-7-9-19(10-8-18)27(44)40-49(47,48)21-13-11-20(32)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,38,45)(H,39,43)(H,40,44)/t22-,23?,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 7n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 100 mg/kg

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035498
PNG
((S)-1-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-b...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H37F3N4O6/c1-16(2)21(23(36)28(29,30)31)32-25(38)20-6-5-11-35(20)27(40)22(17(3)4)33-24(37)18-7-9-19(10-8-18)26(39)34-12-14-41-15-13-34/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,32,38)(H,33,37)/t20-,21?,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 12n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035492
PNG
((S)-1-{(S)-3-Methyl-2-[4-(2-methyl-4-morpholin-4-y...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)C(C)CCN1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C33H45F5N4O6/c1-19(2)25(28(44)32(34,35)33(36,37)38)39-30(46)24-7-6-13-42(24)31(47)26(20(3)4)40-29(45)23-10-8-22(9-11-23)27(43)21(5)12-14-41-15-17-48-18-16-41/h8-11,19-21,24-26H,6-7,12-18H2,1-5H3,(H,39,46)(H,40,45)/t21?,24-,25?,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 19n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035494
PNG
(CHEMBL429359 | N-{(S)-2-Methyl-1-[(S)-2-(3,3,4,4,4...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C29H38F5N3O6/c1-15(2)20(22(38)28(30,31)29(32,33)34)35-24(40)19-9-8-14-37(19)25(41)21(16(3)4)36-23(39)17-10-12-18(13-11-17)26(42)43-27(5,6)7/h10-13,15-16,19-21H,8-9,14H2,1-7H3,(H,35,40)(H,36,39)/t19-,20?,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 21n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035485
PNG
((S)-1-((S)-3-Methyl-2-{4-[4-(morpholine-4-carbonyl...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C34H45F5N6O7/c1-20(2)25(27(46)33(35,36)34(37,38)39)40-29(48)24-6-5-11-45(24)31(50)26(21(3)4)41-28(47)22-7-9-23(10-8-22)30(49)42-12-14-43(15-13-42)32(51)44-16-18-52-19-17-44/h7-10,20-21,24-26H,5-6,11-19H2,1-4H3,(H,40,48)(H,41,47)/t24-,25?,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 24n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035495
PNG
((S)-1-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-b...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C29H37F5N4O6/c1-16(2)21(23(39)28(30,31)29(32,33)34)35-25(41)20-6-5-11-38(20)27(43)22(17(3)4)36-24(40)18-7-9-19(10-8-18)26(42)37-12-14-44-15-13-37/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,35,41)(H,36,40)/t20-,21?,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 25n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 50 mg/kg

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035487
PNG
(CHEMBL140639 | N-{(S)-2-Methyl-1-[(S)-2-(3,3,4,4,4...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(nc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C28H36F5N5O6/c1-15(2)20(22(39)27(29,30)28(31,32)33)35-24(41)19-6-5-9-38(19)26(43)21(16(3)4)36-23(40)17-7-8-18(34-14-17)25(42)37-10-12-44-13-11-37/h7-8,14-16,19-21H,5-6,9-13H2,1-4H3,(H,35,41)(H,36,40)/t19-,20?,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents
PubMed
 28n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035502
PNG
((S)-1-[(S)-3-Methyl-2-(3-pyridin-3-yl-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)CCc1cccnc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C25H33F5N4O4/c1-14(2)19(21(36)24(26,27)25(28,29)30)33-22(37)17-8-6-12-34(17)23(38)20(15(3)4)32-18(35)10-9-16-7-5-11-31-13-16/h5,7,11,13-15,17,19-20H,6,8-10,12H2,1-4H3,(H,32,35)(H,33,37)/t17-,19?,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 29n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035505
PNG
(CHEMBL140763 | N-{(S)-2-Methyl-1-[(S)-2-(3,3,4,4,4...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C25H30F5N3O6/c1-12(2)17(19(34)24(26,27)25(28,29)30)31-21(36)16-6-5-11-33(16)22(37)18(13(3)4)32-20(35)14-7-9-15(10-8-14)23(38)39/h7-10,12-13,16-18H,5-6,11H2,1-4H3,(H,31,36)(H,32,35)(H,38,39)/t16-,17?,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 39n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035497
PNG
(CHEMBL141423 | Morpholine-4-carboxylic acid (4-{(S...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(NC(=O)N2CCOCC2)cc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C29H38F5N5O6/c1-16(2)21(23(40)28(30,31)29(32,33)34)36-25(42)20-6-5-11-39(20)26(43)22(17(3)4)37-24(41)18-7-9-19(10-8-18)35-27(44)38-12-14-45-15-13-38/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,35,44)(H,36,42)(H,37,41)/t20-,21?,22-/m0/s1
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



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 50 mg/kg

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035486
PNG
((S)-1-{(S)-3-Methyl-2-[3-methyl-2-(morpholine-4-ca...)
Show SMILES CC(C)[C@H](NC(=O)C(C(C)C)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C27H41F5N4O6/c1-14(2)18(24(40)35-10-12-42-13-11-35)23(39)34-20(16(5)6)25(41)36-9-7-8-17(36)22(38)33-19(15(3)4)21(37)26(28,29)27(30,31)32/h14-20H,7-13H2,1-6H3,(H,33,38)(H,34,39)/t17-,18?,19?,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
 44n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035501
PNG
((S)-1-{(S)-3-Methyl-2-[(tetrahydro-pyran-4-carbony...)
Show SMILES CC(C)[C@H](NC(=O)C1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C23H34F5N3O5/c1-12(2)16(18(32)22(24,25)23(26,27)28)29-20(34)15-6-5-9-31(15)21(35)17(13(3)4)30-19(33)14-7-10-36-11-8-14/h12-17H,5-11H2,1-4H3,(H,29,34)(H,30,33)/t15-,16?,17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
 59n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 50 mg/kg

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035499
PNG
((S)-1-[(S)-3-Methyl-2-(2-morpholin-4-yl-acetylamin...)
Show SMILES Cl.CC(C)[C@H](NC(=O)CN1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(F)(F)F |r|
Show InChI InChI=1S/C23H35F5N4O5.ClH/c1-13(2)17(19(34)22(24,25)23(26,27)28)30-20(35)15-6-5-7-32(15)21(36)18(14(3)4)29-16(33)12-31-8-10-37-11-9-31;/h13-15,17-18H,5-12H2,1-4H3,(H,29,33)(H,30,35);1H/t15-,17-,18-;/m0./s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 60n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 50 mg/kg

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035493
PNG
((S)-1-[(S)-3-Methyl-2-(3-morpholin-4-yl-3-oxo-prop...)
Show SMILES CC(C)[C@H](NC(=O)CC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C24H35F5N4O6/c1-13(2)18(20(36)23(25,26)24(27,28)29)31-21(37)15-6-5-7-33(15)22(38)19(14(3)4)30-16(34)12-17(35)32-8-10-39-11-9-32/h13-15,18-19H,5-12H2,1-4H3,(H,30,34)(H,31,37)/t15-,18?,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
 70n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 25 mg/kg

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035504
PNG
((S)-1-((S)-2-Benzoylamino-3-methyl-butyryl)-pyrrol...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C24H30F5N3O4/c1-13(2)17(19(33)23(25,26)24(27,28)29)30-21(35)16-11-8-12-32(16)22(36)18(14(3)4)31-20(34)15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18H,8,11-12H2,1-4H3,(H,30,35)(H,31,34)/t16-,17?,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 70n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035490
PNG
(CHEMBL141517 | Morpholine-4-carboxylic acid {(S)-2...)
Show SMILES CC(C)[C@H](NC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C22H33F5N4O5/c1-12(2)15(17(32)21(23,24)22(25,26)27)28-18(33)14-6-5-7-31(14)19(34)16(13(3)4)29-20(35)30-8-10-36-11-9-30/h12-16H,5-11H2,1-4H3,(H,28,33)(H,29,35)/t14-,15?,16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 50 mg/kg

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035496
PNG
((S)-1-{(S)-2-[(Furan-2-carbonyl)-amino]-3-methyl-b...)
Show SMILES CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C22H28F5N3O5/c1-11(2)15(17(31)21(23,24)22(25,26)27)28-18(32)13-7-5-9-30(13)20(34)16(12(3)4)29-19(33)14-8-6-10-35-14/h6,8,10-13,15-16H,5,7,9H2,1-4H3,(H,28,32)(H,29,33)/t13-,15-,16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents
PubMed
 190n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 45 mg/kg

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035491
PNG
(CHEMBL59091 | Morpholine-4-carboxylic acid {(S)-2-...)
Show SMILES CC(C)[C@H](NC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H33F3N4O5/c1-12(2)15(17(29)21(22,23)24)25-18(30)14-6-5-7-28(14)19(31)16(13(3)4)26-20(32)27-8-10-33-11-9-27/h12-16H,5-11H2,1-4H3,(H,25,30)(H,26,32)/t14-,15-,16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 195n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035506
PNG
((S)-1-[(S)-2-(3,3-Dimethyl-ureido)-3-methyl-butyry...)
Show SMILES CC(C)[C@H](NC(=O)N(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C20H31F5N4O4/c1-10(2)13(15(30)19(21,22)20(23,24)25)26-16(31)12-8-7-9-29(12)17(32)14(11(3)4)27-18(33)28(5)6/h10-14H,7-9H2,1-6H3,(H,26,31)(H,27,33)/t12-,13-,14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
 261n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50035503
PNG
((S)-1-((S)-2-Amino-3-methyl-butyryl)-pyrrolidine-2...)
Show SMILES Cl.CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(F)(F)F |r|
Show InChI InChI=1S/C17H26F5N3O3.ClH/c1-8(2)11(23)15(28)25-7-5-6-10(25)14(27)24-12(9(3)4)13(26)16(18,19)17(20,21)22;/h8-12H,5-7,23H2,1-4H3,(H,24,27);1H/t10-,11-,12-;/m0./s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 1.20E+3n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%