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BDBM50291929 (4S,7S)-2-Benzoyl-7-methoxy-4-(5-methyl-2,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanyl)-3-(5-methyl-2,5-dihydro-[1,3,4]thiadiazol-2-ylsulfanylmethyl)-5,5-dioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-en-8-one::CHEMBL177637

SMILES: CO[C@@H]1C2N(C1=O)C(C(=O)c1ccccc1)=C(CSC1=NNC(C)S1)[C@@H](SC1=NNC(C)S1)S2(=O)=O

InChI Key: InChIKey=CKFISHJGTWIQSL-BOXVKRCASA-N

Data: 1 Kon

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50291929   
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))
BDBM50291929
PNG
((4S,7S)-2-Benzoyl-7-methoxy-4-(5-methyl-2,5-dihydr...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)c1ccccc1)=C(CSC1=NNC(C)S1)[C@@H](SC1=NNC(C)S1)S2(=O)=O
Show InChI InChI=1S/C21H23N5O5S5/c1-10-22-24-20(33-10)32-9-13-14(15(27)12-7-5-4-6-8-12)26-17(28)16(31-3)18(26)36(29,30)19(13)35-21-25-23-11(2)34-21/h4-8,10-11,16,18-19,22-23H,9H2,1-3H3/t10?,11?,16-,18?,19-/m0/s1
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/an/an/a 3.90n/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