BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'zottola' and Initial = 'm'   
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))		BDBM50031196
PNG
(2-[3-Methyl-2-({1-[3-methyl-2-(4-chlorophenyl-sulf...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C)C(C)C
Show InChI InChI=1S/C38H41ClN6O10S/c1-20(2)30(32(46)35-41-27-19-23(37(50)54-5)10-17-29(27)55-35)42-34(48)28-7-6-18-45(28)36(49)31(21(3)4)43-33(47)22-8-13-25(14-9-22)40-38(51)44-56(52,53)26-15-11-24(39)12-16-26/h8-17,19-21,28,30-31H,6-7,18H2,1-5H3,(H,42,48)(H,43,47)(H2,40,44,51)/t28-,30-,31-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.0600n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031185
PNG
(2-{(S)-2-[((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfon...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(C)C
Show InChI InChI=1S/C38H40ClN5O10S/c1-20(2)30(32(45)36-40-27-19-24(38(50)53-5)12-17-29(27)54-36)41-35(48)28-7-6-18-44(28)37(49)31(21(3)4)42-33(46)22-8-10-23(11-9-22)34(47)43-55(51,52)26-15-13-25(39)14-16-26/h8-17,19-21,28,30-31H,6-7,18H2,1-5H3,(H,41,48)(H,42,46)(H,43,47)/t28-,30-,31-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.100n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031203
PNG
(2-{(S)-2-[((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfon...)
Show SMILES COC(=O)c1ccc2nc(oc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(C)C
Show InChI InChI=1S/C38H40ClN5O10S/c1-20(2)30(32(45)36-40-27-17-12-24(38(50)53-5)19-29(27)54-36)41-35(48)28-7-6-18-44(28)37(49)31(21(3)4)42-33(46)22-8-10-23(11-9-22)34(47)43-55(51,52)26-15-13-25(39)14-16-26/h8-17,19-21,28,30-31H,6-7,18H2,1-5H3,(H,41,48)(H,42,46)(H,43,47)/t28-,30-,31-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.180n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031198
PNG
(1-(4-(((S)-1-((S)-2-(((S)-1-(benzo[d]oxazol-2-yl)-...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C36H39ClN6O8S/c1-20(2)29(31(44)34-39-26-8-5-6-10-28(26)51-34)40-33(46)27-9-7-19-43(27)35(47)30(21(3)4)41-32(45)22-11-15-24(16-12-22)38-36(48)42-52(49,50)25-17-13-23(37)14-18-25/h5-6,8,10-18,20-21,27,29-30H,7,9,19H2,1-4H3,(H,40,46)(H,41,45)(H2,38,42,48)/t27-,29-,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.200n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031187
PNG
(2-{(S)-2-[((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfon...)
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)N[C@@H](C(C)C)C(=O)c1nc2cc(ccc2o1)C(N)=O
Show InChI InChI=1S/C37H39ClN6O9S/c1-19(2)29(31(45)36-40-26-18-23(32(39)46)11-16-28(26)53-36)41-35(49)27-6-5-17-44(27)37(50)30(20(3)4)42-33(47)21-7-9-22(10-8-21)34(48)43-54(51,52)25-14-12-24(38)13-15-25/h7-16,18-20,27,29-30H,5-6,17H2,1-4H3,(H2,39,46)(H,41,49)(H,42,47)(H,43,48)/t27-,29-,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.200n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031188
PNG
(2-[(S)-3-Methyl-2-({(S)-1-[(S)-3-methyl-2-(4-trifl...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1)C(C)C)C(C)C
Show InChI InChI=1S/C32H36F3N5O9S/c1-16(2)24(26(41)29-36-21-15-19(31(45)48-5)10-13-23(21)49-29)37-28(43)22-7-6-14-40(22)30(44)25(17(3)4)38-27(42)18-8-11-20(12-9-18)39-50(46,47)32(33,34)35/h8-13,15-17,22,24-25,39H,6-7,14H2,1-5H3,(H,37,43)(H,38,42)/t22-,24-,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.300n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031209
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)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C36H38ClN5O8S/c1-20(2)29(31(43)35-38-26-8-5-6-10-28(26)50-35)39-34(46)27-9-7-19-42(27)36(47)30(21(3)4)40-32(44)22-11-13-23(14-12-22)33(45)41-51(48,49)25-17-15-24(37)16-18-25/h5-6,8,10-18,20-21,27,29-30H,7,9,19H2,1-4H3,(H,39,46)(H,40,44)(H,41,45)/t27-,29-,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.330n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031217
PNG
(CHEMBL262516 | N-((S)-1-{(S)-2-[(S)-1-(Benzooxazol...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C34H42N4O7/c1-19(2)26(28(39)31-35-23-11-8-9-13-25(23)44-31)36-30(41)24-12-10-18-38(24)32(42)27(20(3)4)37-29(40)21-14-16-22(17-15-21)33(43)45-34(5,6)7/h8-9,11,13-17,19-20,24,26-27H,10,12,18H2,1-7H3,(H,36,41)(H,37,40)/t24-,26-,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.340n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031197
PNG
(2-[(S)-3-Methyl-2-({(S)-1-[(S)-3-methyl-2-(4-sulfa...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C31H37N5O9S/c1-16(2)24(26(37)29-33-21-15-19(31(41)44-5)10-13-23(21)45-29)34-28(39)22-7-6-14-36(22)30(40)25(17(3)4)35-27(38)18-8-11-20(12-9-18)46(32,42)43/h8-13,15-17,22,24-25H,6-7,14H2,1-5H3,(H,34,39)(H,35,38)(H2,32,42,43)/t22-,24-,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.350n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031210
PNG
(2-((S)-2-{[(S)-1-((S)-2-Benzyloxycarbonylamino-3-m...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C32H38N4O8/c1-18(2)25(27(37)29-33-22-16-21(31(40)42-5)13-14-24(22)44-29)34-28(38)23-12-9-15-36(23)30(39)26(19(3)4)35-32(41)43-17-20-10-7-6-8-11-20/h6-8,10-11,13-14,16,18-19,23,25-26H,9,12,15,17H2,1-5H3,(H,34,38)(H,35,41)/t23-,25-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.370n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058357
PNG
(1-[(S)-3-Methyl-2-(4-phenoxy-benzoylamino)-butyryl...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H34F3N3O5/c1-17(2)23(25(36)29(30,31)32)33-27(38)22-11-8-16-35(22)28(39)24(18(3)4)34-26(37)19-12-14-21(15-13-19)40-20-9-6-5-7-10-20/h5-7,9-10,12-15,17-18,22-24H,8,11,16H2,1-4H3,(H,33,38)(H,34,37)/t22?,23?,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 0.410n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058376
PNG
(4-((E)-2-{(S)-2-Methyl-1-[2-(3,3,3-trifluoro-1-iso...)
Show SMILES CCOC(=O)c1ccc(\C=C\C(=O)N[C@@H](C(C)C)C(=O)N2CCCC2C(=O)NC(C(C)C)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C28H36F3N3O6/c1-6-40-27(39)19-12-9-18(10-13-19)11-14-21(35)32-23(17(4)5)26(38)34-15-7-8-20(34)25(37)33-22(16(2)3)24(36)28(29,30)31/h9-14,16-17,20,22-23H,6-8,15H2,1-5H3,(H,32,35)(H,33,37)/b14-11+/t20?,22?,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 0.430n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031192
PNG
(CHEMBL339650 | [(S)-1-((S)-2-{(S)-1-[5-(tert-Butyl...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2cc(CO[Si](C)(C)C(C)(C)C)ccc2o1
Show InChI InChI=1S/C37H52N4O7Si/c1-23(2)30(32(42)34-38-27-20-26(17-18-29(27)48-34)22-47-49(8,9)37(5,6)7)39-33(43)28-16-13-19-41(28)35(44)31(24(3)4)40-36(45)46-21-25-14-11-10-12-15-25/h10-12,14-15,17-18,20,23-24,28,30-31H,13,16,19,21-22H2,1-9H3,(H,39,43)(H,40,45)/t28-,30-,31-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.430n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031201
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)N[C@@H](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
 0.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
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
Article
PubMed
 0.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031194
PNG
((S)-1-[(S)-2-(4-Benzenesulfonylaminocarbonyl-benzo...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C36H39N5O8S/c1-21(2)29(31(42)35-37-26-13-8-9-15-28(26)49-35)38-34(45)27-14-10-20-41(27)36(46)30(22(3)4)39-32(43)23-16-18-24(19-17-23)33(44)40-50(47,48)25-11-6-5-7-12-25/h5-9,11-13,15-19,21-22,27,29-30H,10,14,20H2,1-4H3,(H,38,45)(H,39,43)(H,40,44)/t27-,29-,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031191
PNG
(2-((S)-2-{[(S)-1-((S)-2-Benzyloxycarbonylamino-3-m...)
Show SMILES COC(=O)c1ccc2nc(oc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C32H38N4O8/c1-18(2)25(27(37)29-33-22-14-13-21(31(40)42-5)16-24(22)44-29)34-28(38)23-12-9-15-36(23)30(39)26(19(3)4)35-32(41)43-17-20-10-7-6-8-11-20/h6-8,10-11,13-14,16,18-19,23,25-26H,9,12,15,17H2,1-5H3,(H,34,38)(H,35,41)/t23-,25-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.550n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031193
PNG
(1-[2-(4-Benzenesulfonamido-carbamide-benzoylamino)...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C36H40N6O8S/c1-21(2)29(31(43)34-38-26-13-8-9-15-28(26)50-34)39-33(45)27-14-10-20-42(27)35(46)30(22(3)4)40-32(44)23-16-18-24(19-17-23)37-36(47)41-51(48,49)25-11-6-5-7-12-25/h5-9,11-13,15-19,21-22,27,29-30H,10,14,20H2,1-4H3,(H,39,45)(H,40,44)(H2,37,41,47)/t27-,29-,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.600n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005147
PNG
((S)-1-{(S)-2-[4-(4-Bromo-benzenesulfonylaminocarbo...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F |r|
Show InChI InChI=1S/C30H34BrF3N4O7S/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
Article
PubMed
 0.620n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058378
PNG
(CHEMBL2372974 | {(S)-2-Methyl-1-[2-(3,3,3-trifluor...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H29F4N3O5/c1-12(2)17(19(31)23(25,26)27)28-20(32)16-6-5-11-30(16)21(33)18(13(3)4)29-22(34)35-15-9-7-14(24)8-10-15/h7-10,12-13,16-18H,5-6,11H2,1-4H3,(H,28,32)(H,29,34)/t16-,17-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 0.630n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031207
PNG
(2-{(S)-2-[((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfon...)
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)N[C@@H](C(C)C)C(=O)c1nc2cc(ccc2o1)C(O)=O
Show InChI InChI=1S/C37H38ClN5O10S/c1-19(2)29(31(44)35-39-26-18-23(37(49)50)11-16-28(26)53-35)40-34(47)27-6-5-17-43(27)36(48)30(20(3)4)41-32(45)21-7-9-22(10-8-21)33(46)42-54(51,52)25-14-12-24(38)13-15-25/h7-16,18-20,27,29-30H,5-6,17H2,1-4H3,(H,40,47)(H,41,45)(H,42,46)(H,49,50)/t27-,29-,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.650n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031205
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)N[C@@H](C(C)C)C(=O)c1nc2cc(CO)ccc2o1
Show InChI InChI=1S/C37H40ClN5O9S/c1-20(2)30(32(45)36-39-27-18-22(19-44)7-16-29(27)52-36)40-35(48)28-6-5-17-43(28)37(49)31(21(3)4)41-33(46)23-8-10-24(11-9-23)34(47)42-53(50,51)26-14-12-25(38)13-15-26/h7-16,18,20-21,28,30-31,44H,5-6,17,19H2,1-4H3,(H,40,48)(H,41,46)(H,42,47)/t28-,30-,31-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.660n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031211
PNG
((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...)
Show SMILES COc1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(C)C
Show InChI InChI=1S/C37H40ClN5O9S/c1-20(2)30(32(44)36-39-27-19-25(51-5)14-17-29(27)52-36)40-35(47)28-7-6-18-43(28)37(48)31(21(3)4)41-33(45)22-8-10-23(11-9-22)34(46)42-53(49,50)26-15-12-24(38)13-16-26/h8-17,19-21,28,30-31H,6-7,18H2,1-5H3,(H,40,47)(H,41,45)(H,42,46)/t28-,30-,31-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.660n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031215
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)N[C@@H](C(C)C)C(=O)c1nc2cc(O)ccc2o1
Show InChI InChI=1S/C36H38ClN5O9S/c1-19(2)29(31(44)35-38-26-18-24(43)13-16-28(26)51-35)39-34(47)27-6-5-17-42(27)36(48)30(20(3)4)40-32(45)21-7-9-22(10-8-21)33(46)41-52(49,50)25-14-11-23(37)12-15-25/h7-16,18-20,27,29-30,43H,5-6,17H2,1-4H3,(H,39,47)(H,40,45)(H,41,46)/t27-,29-,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 0.810n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058382
PNG
(1-{(S)-3-Methyl-2-[(naphthalene-2-carbonyl)-amino]...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H32F3N3O4/c1-15(2)21(23(34)27(28,29)30)31-25(36)20-10-7-13-33(20)26(37)22(16(3)4)32-24(35)19-12-11-17-8-5-6-9-18(17)14-19/h5-6,8-9,11-12,14-16,20-22H,7,10,13H2,1-4H3,(H,31,36)(H,32,35)/t20?,21?,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 0.870n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058364
PNG
(1-{(S)-2-[2-(Acetyl-benzyl-amino)-acetylamino]-3-m...)
Show SMILES CC(C)[C@H](NC(=O)CN(Cc1ccccc1)C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H37F3N4O5/c1-16(2)22(24(37)27(28,29)30)32-25(38)20-12-9-13-34(20)26(39)23(17(3)4)31-21(36)15-33(18(5)35)14-19-10-7-6-8-11-19/h6-8,10-11,16-17,20,22-23H,9,12-15H2,1-5H3,(H,31,36)(H,32,38)/t20-,22-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

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



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031202
PNG
(CHEMBL131580 | [2-(2-{[1-(2-Benzyloxycarbonylamino...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2cc(ccc2o1)C(=O)ON
Show InChI InChI=1S/C31H37N5O8/c1-17(2)24(26(37)28-33-21-15-20(30(40)44-32)12-13-23(21)43-28)34-27(38)22-11-8-14-36(22)29(39)25(18(3)4)35-31(41)42-16-19-9-6-5-7-10-19/h5-7,9-10,12-13,15,17-18,22,24-25H,8,11,14,16,32H2,1-4H3,(H,34,38)(H,35,41)/t22-,24-,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 1n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058362
PNG
(1-[(S)-2-(3,4-Dimethyl-benzoylamino)-3-methyl-buty...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(C)c(C)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H34F3N3O4/c1-13(2)19(21(32)25(26,27)28)29-23(34)18-8-7-11-31(18)24(35)20(14(3)4)30-22(33)17-10-9-15(5)16(6)12-17/h9-10,12-14,18-20H,7-8,11H2,1-6H3,(H,29,34)(H,30,33)/t18-,19-,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 1n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031214
PNG
(((S)-1-{(S)-2-[(S)-1-(5-Chloro-benzooxazole-2-carb...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C30H35ClN4O6/c1-17(2)24(26(36)28-32-21-15-20(31)12-13-23(21)41-28)33-27(37)22-11-8-14-35(22)29(38)25(18(3)4)34-30(39)40-16-19-9-6-5-7-10-19/h5-7,9-10,12-13,15,17-18,22,24-25H,8,11,14,16H2,1-4H3,(H,33,37)(H,34,39)/t22-,24-,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 1.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031200
PNG
(CHEMBL335233 | [2-((S)-2-{[(S)-1-((S)-2-Benzyloxyc...)
Show SMILES COC(=O)Cc1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C33H40N4O8/c1-19(2)27(29(39)31-34-23-16-22(17-26(38)43-5)13-14-25(23)45-31)35-30(40)24-12-9-15-37(24)32(41)28(20(3)4)36-33(42)44-18-21-10-7-6-8-11-21/h6-8,10-11,13-14,16,19-20,24,27-28H,9,12,15,17-18H2,1-5H3,(H,35,40)(H,36,42)/t24-,27-,28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 1.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058368
PNG
(1-[(S)-2-(3,4-Dimethoxy-benzoylamino)-3-methyl-but...)
Show SMILES COc1ccc(cc1OC)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H34F3N3O6/c1-13(2)19(21(32)25(26,27)28)29-23(34)16-8-7-11-31(16)24(35)20(14(3)4)30-22(33)15-9-10-17(36-5)18(12-15)37-6/h9-10,12-14,16,19-20H,7-8,11H2,1-6H3,(H,29,34)(H,30,33)/t16?,19?,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 1.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058339
PNG
(1-[(S)-3-Methyl-2-(4-nitro-benzoylamino)-butyryl]-...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H29F3N4O6/c1-12(2)17(19(31)23(24,25)26)27-21(33)16-6-5-11-29(16)22(34)18(13(3)4)28-20(32)14-7-9-15(10-8-14)30(35)36/h7-10,12-13,16-18H,5-6,11H2,1-4H3,(H,27,33)(H,28,32)/t16?,17?,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 1.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058351
PNG
(1-[(S)-2-(Adamantane-1-sulfonylamino)-3-methyl-but...)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NS(=O)(=O)C12CC3CC(CC(C3)C1)C2)C(C)C)C(=O)C(F)(F)F |TLB:22:23:27:20.21.26,THB:22:21:27:28.23.24,24:23:20:27.25.26|
Show InChI InChI=1S/C26H40F3N3O5S/c1-14(2)20(22(33)26(27,28)29)30-23(34)19-6-5-7-32(19)24(35)21(15(3)4)31-38(36,37)25-11-16-8-17(12-25)10-18(9-16)13-25/h14-21,31H,5-13H2,1-4H3,(H,30,34)/t16?,17?,18?,19?,20?,21-,25?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 1.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031195
PNG
((S)-1-[(S)-3-methyl-2-(4-sulfamoyl-benzoylamino)-b...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C29H35N5O7S/c1-16(2)23(25(35)28-31-20-8-5-6-10-22(20)41-28)32-27(37)21-9-7-15-34(21)29(38)24(17(3)4)33-26(36)18-11-13-19(14-12-18)42(30,39)40/h5-6,8,10-14,16-17,21,23-24H,7,9,15H2,1-4H3,(H,32,37)(H,33,36)(H2,30,39,40)/t21-,23-,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 1.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058344
PNG
(CHEMBL417935 | {(S)-2-Methyl-1-[(S)-2-((S)-3,3,3-t...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O5/c1-13(2)17(19(30)23(24,25)26)27-20(31)16-11-8-12-29(16)21(32)18(14(3)4)28-22(33)34-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18H,8,11-12H2,1-4H3,(H,27,31)(H,28,33)/t16-,17-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 1.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058344
PNG
(CHEMBL417935 | {(S)-2-Methyl-1-[(S)-2-((S)-3,3,3-t...)
Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H30F3N3O5/c1-13(2)17(19(30)23(24,25)26)27-20(31)16-11-8-12-29(16)21(32)18(14(3)4)28-22(33)34-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18H,8,11-12H2,1-4H3,(H,27,31)(H,28,33)/t16-,17-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 1.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031189
PNG
((S)-1-{(S)-3-Methyl-2-[4-(propane-2-sulfonylaminoc...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C33H41N5O8S/c1-18(2)26(28(39)32-34-23-10-7-8-12-25(23)46-32)35-31(42)24-11-9-17-38(24)33(43)27(19(3)4)36-29(40)21-13-15-22(16-14-21)30(41)37-47(44,45)20(5)6/h7-8,10,12-16,18-20,24,26-27H,9,11,17H2,1-6H3,(H,35,42)(H,36,40)(H,37,41)/t24-,26-,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 1.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058374
PNG
(1-((S)-3-Methyl-2-pentafluorobenzenesulfonylamino-...)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H25F8N3O5S/c1-8(2)16(19(34)22(28,29)30)31-20(35)10-6-5-7-33(10)21(36)17(9(3)4)32-39(37,38)18-14(26)12(24)11(23)13(25)15(18)27/h8-10,16-17,32H,5-7H2,1-4H3,(H,31,35)/t10?,16?,17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

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



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036058
PNG
(CHEMBL354883 | benzyl (S)-1-((S)-2-(((S)-1,1,1-tri...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O5/c1-14(2)18(20(31)24(25,26)27)28-21(32)17-11-8-12-30(17)22(33)19(15(3)4)29-23(34)35-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13H2,1-4H3,(H,28,32)(H,29,34)/t17-,18-,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

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



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058379
PNG
(1-{(S)-2-[Bis-(3-phenyl-propyl)-amino]-3-methyl-bu...)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)[C@H](C(C)C)N(CCCc1ccccc1)CCCc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C34H46F3N3O3/c1-24(2)29(31(41)34(35,36)37)38-32(42)28-20-13-23-40(28)33(43)30(25(3)4)39(21-11-18-26-14-7-5-8-15-26)22-12-19-27-16-9-6-10-17-27/h5-10,14-17,24-25,28-30H,11-13,18-23H2,1-4H3,(H,38,42)/t28?,29?,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 1.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058342
PNG
(3-{(S)-2-Methyl-1-[2-(3,3,3-trifluoro-1-isopropyl-...)
Show SMILES CC(C)[C@H](NC(=O)c1cc2ccccc2cc1C(O)=O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H32F3N3O6/c1-14(2)21(23(35)28(29,30)31)32-25(37)20-10-7-11-34(20)26(38)22(15(3)4)33-24(36)18-12-16-8-5-6-9-17(16)13-19(18)27(39)40/h5-6,8-9,12-15,20-22H,7,10-11H2,1-4H3,(H,32,37)(H,33,36)(H,39,40)/t20?,21?,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 1.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031206
PNG
(((S)-1-{(S)-2-[(S)-1-(5-Cyano-benzooxazole-2-carbo...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2cc(ccc2o1)C#N
Show InChI InChI=1S/C31H35N5O6/c1-18(2)25(27(37)29-33-22-15-21(16-32)12-13-24(22)42-29)34-28(38)23-11-8-14-36(23)30(39)26(19(3)4)35-31(40)41-17-20-9-6-5-7-10-20/h5-7,9-10,12-13,15,18-19,23,25-26H,8,11,14,17H2,1-4H3,(H,34,38)(H,35,40)/t23-,25-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 1.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058359
PNG
(4-((E)-2-{(S)-2-Methyl-1-[2-(3,3,3-trifluoro-1-iso...)
Show SMILES CC(C)[C@H](NC(=O)\C=C\c1ccc(cc1)C(O)=O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H32F3N3O6/c1-14(2)20(22(34)26(27,28)29)31-23(35)18-6-5-13-32(18)24(36)21(15(3)4)30-19(33)12-9-16-7-10-17(11-8-16)25(37)38/h7-12,14-15,18,20-21H,5-6,13H2,1-4H3,(H,30,33)(H,31,35)(H,37,38)/b12-9+/t18?,20?,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 1.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058347
PNG
(CHEMBL56713 | N-{(S)-2-Methyl-1-[2-(3,3,3-trifluor...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O6/c1-13(2)18(20(32)25(26,27)28)29-22(34)17-7-6-12-31(17)23(35)19(14(3)4)30-21(33)15-8-10-16(11-9-15)24(36)37-5/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,29,34)(H,30,33)/t17?,18?,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 1.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058391
PNG
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 1.90n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031213
PNG
(((S)-1-{(S)-2-[(S)-1-(5-Methoxy-benzooxazole-2-car...)
Show SMILES COc1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C31H38N4O7/c1-18(2)25(27(36)29-32-22-16-21(40-5)13-14-24(22)42-29)33-28(37)23-12-9-15-35(23)30(38)26(19(3)4)34-31(39)41-17-20-10-7-6-8-11-20/h6-8,10-11,13-14,16,18-19,23,25-26H,9,12,15,17H2,1-5H3,(H,33,37)(H,34,39)/t23-,25-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 1.90n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa

J Med Chem 38: 3972-82 (1995)


BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058391
PNG
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 1.90n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058346
PNG
(1-[(S)-2-(4-Methanesulfonyl-benzoylamino)-3-methyl...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)S(C)(=O)=O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O6S/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(11-9-15)37(5,35)36/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17?,18?,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 2n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058389
PNG
(1-{(S)-2-[2-(Acetyl-propyl-amino)-acetylamino]-3-m...)
Show SMILES CCCN(CC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F)C(C)=O
Show InChI InChI=1S/C23H37F3N4O5/c1-7-10-29(15(6)31)12-17(32)27-19(14(4)5)22(35)30-11-8-9-16(30)21(34)28-18(13(2)3)20(33)23(24,25)26/h13-14,16,18-19H,7-12H2,1-6H3,(H,27,32)(H,28,34)/t16-,18-,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 2n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50058353
PNG
(1-[(S)-3-Methyl-2-(4-methylsulfanyl-benzoylamino)-...)
Show SMILES CSc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O4S/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17?,18?,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 2.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 99 total )  |  Next  |  Last  >>
Jump to: