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BDBM50368407 CHEMBL446371::L-658758

SMILES: CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)N1CCC[C@H]1C(O)=O)=C(COC(C)=O)CS2(=O)=O

InChI Key: InChIKey=SMZXYXKZTNLAKY-ITDIGPHOSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50368407   
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))
BDBM50368407
PNG
(CHEMBL446371 | L-658758)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)N1CCC[C@H]1C(O)=O)=C(COC(C)=O)CS2(=O)=O
Show InChI InChI=1S/C16H20N2O9S/c1-8(19)27-6-9-7-28(24,25)15-12(26-2)14(21)18(15)11(9)13(20)17-5-3-4-10(17)16(22)23/h10,12,15H,3-7H2,1-2H3,(H,22,23)/t10-,12-,15+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity agaiinst HLE at 10 min (48 mM conc)


J Med Chem 35: 3731-44 (1992)


Article DOI: 10.1021/jm00099a002
BindingDB Entry DOI: 10.7270/Q2BP03D7
More data for this
Ligand-Target Pair