BindingDB logo
myBDB logout

4 similar compounds to monomer 50005165

Compile data set for download or QSAR
Wt: 575.6
BDBM50004187
Wt: 589.6
BDBM50005146
Wt: 533.5
BDBM50005172
Wt: 507.6
BDBM50036053

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50004187,50005146,50005172,50036053   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036053
PNG
(CHEMBL355765 | {(S)-1-[(S)-2-((S)-1-Benzoyl-2-meth...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1ccccc1
Show InChI InChI=1S/C29H37N3O5/c1-19(2)24(26(33)22-14-9-6-10-15-22)30-27(34)23-16-11-17-32(23)28(35)25(20(3)4)31-29(36)37-18-21-12-7-5-8-13-21/h5-10,12-15,19-20,23-25H,11,16-18H2,1-4H3,(H,30,34)(H,31,36)/t23-,24-,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase


J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50036053
PNG
(CHEMBL355765 | {(S)-1-[(S)-2-((S)-1-Benzoyl-2-meth...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1ccccc1
Show InChI InChI=1S/C29H37N3O5/c1-19(2)24(26(33)22-14-9-6-10-15-22)30-27(34)23-16-11-17-32(23)28(35)25(20(3)4)31-29(36)37-18-21-12-7-5-8-13-21/h5-10,12-15,19-20,23-25H,11,16-18H2,1-4H3,(H,30,34)(H,31,36)/t23-,24-,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+4n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN)


J Med Chem 38: 76-85 (1995)


Article DOI: 10.1021/jm00001a013
BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005172
PNG
((1-{Indan-2-yl-[(3,3,3-trifluoro-2-oxo-propylcarba...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NCC(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C27H30F3N3O5/c1-17(2)24(32-26(37)38-16-18-8-4-3-5-9-18)25(36)33(15-23(35)31-14-22(34)27(28,29)30)21-12-19-10-6-7-11-20(19)13-21/h3-11,17,21,24H,12-16H2,1-2H3,(H,31,35)(H,32,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50004187
PNG
(((S)-1-{Indan-2-yl-[(3,3,3-trifluoro-1-isopropyl-2...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C30H36F3N3O5/c1-18(2)25(27(38)30(31,32)33)34-24(37)16-36(23-14-21-12-8-9-13-22(21)15-23)28(39)26(19(3)4)35-29(40)41-17-20-10-6-5-7-11-20/h5-13,18-19,23,25-26H,14-17H2,1-4H3,(H,34,37)(H,35,40)/t25?,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 365n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50004187
PNG
(((S)-1-{Indan-2-yl-[(3,3,3-trifluoro-1-isopropyl-2...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C30H36F3N3O5/c1-18(2)25(27(38)30(31,32)33)34-24(37)16-36(23-14-21-12-8-9-13-22(21)15-23)28(39)26(19(3)4)35-29(40)41-17-20-10-6-5-7-11-20/h5-13,18-19,23,25-26H,14-17H2,1-4H3,(H,34,37)(H,35,40)/t25?,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 365n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


Bioorg Med Chem Lett 3: 773-778 (1993)


Article DOI: 10.1016/S0960-894X(01)81273-7
BindingDB Entry DOI: 10.7270/Q2FJ2GQ4
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50004187
PNG
(((S)-1-{Indan-2-yl-[(3,3,3-trifluoro-1-isopropyl-2...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C30H36F3N3O5/c1-18(2)25(27(38)30(31,32)33)34-24(37)16-36(23-14-21-12-8-9-13-22(21)15-23)28(39)26(19(3)4)35-29(40)41-17-20-10-6-5-7-11-20/h5-13,18-19,23,25-26H,14-17H2,1-4H3,(H,34,37)(H,35,40)/t25?,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 365n/an/an/an/a7.5n/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5


J Med Chem 35: 4795-808 (1993)


Article DOI: 10.1021/jm00104a004
BindingDB Entry DOI: 10.7270/Q2HX1BM5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005146
PNG
((1-{Indan-2-yl-[(3,3,3-trifluoro-1-isopropyl-2-oxo...)
Show SMILES CC(C)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(C(C)C)N(C)C(=O)OCc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C31H38F3N3O5/c1-19(2)26(28(39)31(32,33)34)35-25(38)17-37(24-15-22-13-9-10-14-23(22)16-24)29(40)27(20(3)4)36(5)30(41)42-18-21-11-7-6-8-12-21/h6-14,19-20,24,26-27H,15-18H2,1-5H3,(H,35,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.56E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair