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2 similar compounds to monomer 50003162

Compile data set for download or QSAR
Wt: 410.5
BDBM50291941
Wt: 426.5
BDBM50291922

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50291941,50291922   
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))
BDBM50291941
PNG
((S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-5,5-dioxo...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1ccccn1)CS2(=O)=O
Show InChI InChI=1S/C18H22N2O5S2/c1-18(2,3)15(21)13-11(9-26-12-7-5-6-8-19-12)10-27(23,24)17-14(25-4)16(22)20(13)17/h5-8,14,17H,9-10H2,1-4H3/t14-,17?/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/an/an/a 2.30E+4n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291922
PNG
((S)-7-Methoxy-5,5,8-trioxo-3-(pyridin-2-ylsulfanyl...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)OC(C)(C)C)=C(CSc1ccccn1)CS2(=O)=O
Show InChI InChI=1S/C18H22N2O6S2/c1-18(2,3)26-17(22)13-11(9-27-12-7-5-6-8-19-12)10-28(23,24)16-14(25-4)15(21)20(13)16/h5-8,14,16H,9-10H2,1-4H3/t14-,16?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/an/an/a 900n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair