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BDBM50398079 CHEMBL2182018

SMILES: CCCCNC(=O)CC[Si]([C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=MMYMNEQKCCGWBV-SQQUJEGXSA-N

Data: 1 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50398079   
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))
BDBM50398079
PNG
(CHEMBL2182018)
Show SMILES CCCCNC(=O)CC[Si]([C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C42H55N3O3Si/c1-6-8-26-43-38(46)25-27-49(36-19-11-9-12-20-36,37-21-13-10-14-22-37)40(28-31(3)4)45-42(48)41(32(5)7-2)44-39(47)30-33-23-24-34-17-15-16-18-35(34)29-33/h9-24,29,31-32,40-41H,6-8,25-28,30H2,1-5H3,(H,43,46)(H,44,47)(H,45,48)/t32-,40+,41-/m0/s1
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B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30E+4n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human neutrophil elastase assessed as hydrolysis of N-succinyl-Ala-Ala-Pro-Val-p-nitroanilide incubated for 2 hrs measur...


J Med Chem 55: 7900-8 (2012)


Article DOI: 10.1021/jm301000k
BindingDB Entry DOI: 10.7270/Q2B27WD6
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50398079
PNG
(CHEMBL2182018)
Show SMILES CCCCNC(=O)CC[Si]([C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C42H55N3O3Si/c1-6-8-26-43-38(46)25-27-49(36-19-11-9-12-20-36,37-21-13-10-14-22-37)40(28-31(3)4)45-42(48)41(32(5)7-2)44-39(47)30-33-23-24-34-17-15-16-18-35(34)29-33/h9-24,29,31-32,40-41H,6-8,25-28,30H2,1-5H3,(H,43,46)(H,44,47)(H,45,48)/t32-,40+,41-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Inhibition of cathepsin G assessed as hydrolysis of N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide incubated for 2 hrs measured for 20 mins by microplate ...


J Med Chem 55: 7900-8 (2012)


Article DOI: 10.1021/jm301000k
BindingDB Entry DOI: 10.7270/Q2B27WD6
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50398079
PNG
(CHEMBL2182018)
Show SMILES CCCCNC(=O)CC[Si]([C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C42H55N3O3Si/c1-6-8-26-43-38(46)25-27-49(36-19-11-9-12-20-36,37-21-13-10-14-22-37)40(28-31(3)4)45-42(48)41(32(5)7-2)44-39(47)30-33-23-24-34-17-15-16-18-35(34)29-33/h9-24,29,31-32,40-41H,6-8,25-28,30H2,1-5H3,(H,43,46)(H,44,47)(H,45,48)/t32-,40+,41-/m0/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase assessed as hydrolysis of N-succinyl-Ala-Ala-Pro-Val-p-nitroanilide incubated for 2 hrs measured for 20 mins ...


J Med Chem 55: 7900-8 (2012)


Article DOI: 10.1021/jm301000k
BindingDB Entry DOI: 10.7270/Q2B27WD6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50398079
PNG
(CHEMBL2182018)
Show SMILES CCCCNC(=O)CC[Si]([C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C42H55N3O3Si/c1-6-8-26-43-38(46)25-27-49(36-19-11-9-12-20-36,37-21-13-10-14-22-37)40(28-31(3)4)45-42(48)41(32(5)7-2)44-39(47)30-33-23-24-34-17-15-16-18-35(34)29-33/h9-24,29,31-32,40-41H,6-8,25-28,30H2,1-5H3,(H,43,46)(H,44,47)(H,45,48)/t32-,40+,41-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.20E+4n/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Inhibition of thrombin assessed as hydrolysis of H-D-Pro-L-Phe-L-Arg-p-nitroanilide incubated for 2 hrs measured for 20 mins by microplate reader ana...


J Med Chem 55: 7900-8 (2012)


Article DOI: 10.1021/jm301000k
BindingDB Entry DOI: 10.7270/Q2B27WD6
More data for this
Ligand-Target Pair