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BDBM50269859 2,2,2-trifluoroacetate; 5-(2-azaniumyl-2-{[(1S,2S)-1-cyano-2-phenylcyclopropyl]carbamoyl}ethyl)-1,3-thiazol-3-ium

SMILES: [NH3+]C(Cc1c[nH+]cs1)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N

InChI Key: InChIKey=ZDIWELBONJHKGV-XWDNMSNZSA-P

Data: 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 3 hits for monomerid = 50269859   
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
Neutrophil elastase


(Mus musculus)
BDBM50269859
PNG
(2,2,2-trifluoroacetate; 5-(2-azaniumyl-2-{[(1S,2S)...)
Show SMILES [NH3+]C(Cc1c[nH+]cs1)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N
Show InChI InChI=1S/C16H16N4OS/c17-9-16(7-13(16)11-4-2-1-3-5-11)20-15(21)14(18)6-12-8-19-10-22-12/h1-5,8,10,13-14H,6-7,18H2,(H,20,21)/p+2/t13-,14?,16+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.93E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50269859
PNG
(2,2,2-trifluoroacetate; 5-(2-azaniumyl-2-{[(1S,2S)...)
Show SMILES [NH3+]C(Cc1c[nH+]cs1)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N
Show InChI InChI=1S/C16H16N4OS/c17-9-16(7-13(16)11-4-2-1-3-5-11)20-15(21)14(18)6-12-8-19-10-22-12/h1-5,8,10,13-14H,6-7,18H2,(H,20,21)/p+2/t13-,14?,16+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 790n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin C after 10 mins


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair
Cathepsin G


(Mus musculus)
BDBM50269859
PNG
(2,2,2-trifluoroacetate; 5-(2-azaniumyl-2-{[(1S,2S)...)
Show SMILES [NH3+]C(Cc1c[nH+]cs1)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N
Show InChI InChI=1S/C16H16N4OS/c17-9-16(7-13(16)11-4-2-1-3-5-11)20-15(21)14(18)6-12-8-19-10-22-12/h1-5,8,10,13-14H,6-7,18H2,(H,20,21)/p+2/t13-,14?,16+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin G activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs


J Biol Chem 282: 20836-46 (2007)


Article DOI: 10.1074/jbc.M702615200
BindingDB Entry DOI: 10.7270/Q2125TJM
More data for this
Ligand-Target Pair