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BDBM50291931 (4S,7S)-2-(2,2-Dimethyl-propionyl)-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::CHEMBL128394

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

InChI Key: InChIKey=PKCMBWRPRZNERX-FZJWLHSMSA-N

Data: 1 Kon

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50291931   
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


(Homo sapiens (Human))		BDBM50291931
PNG
((4S,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-4-(5-...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(CSC1=NNC(C)S1)[C@@H](SC1=NNC(C)S1)S2(=O)=O |t:14,18,27|
Show InChI InChI=1S/C19H27N5O5S5/c1-8-20-22-17(31-8)30-7-10-11(13(25)19(3,4)5)24-14(26)12(29-6)15(24)34(27,28)16(10)33-18-23-21-9(2)32-18/h8-9,12,15-16,20-21H,7H2,1-6H3/t8?,9?,12-,15?,16-/m0/s1
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MMDB

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PC sid
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Similars
PubMed
n/an/an/an/an/an/a 2.10n/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)


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