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SMILES: CC(C)COc1nc2sc3CCCCc3c2c(=O)o1

InChI Key: InChIKey=YBYXQZXKFJGUMQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50064317   
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))		BDBM50064317
PNG
(2-Isobutoxy-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,...)
Show SMILES CC(C)COc1nc2sc3CCCCc3c2c(=O)o1
Show InChI InChI=1S/C14H17NO3S/c1-8(2)7-17-14-15-12-11(13(16)18-14)9-5-3-4-6-10(9)19-12/h8H,3-7H2,1-2H3
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Article
PubMed
 51n/an/an/an/a 0.0000515 1.01E+3n/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Steady state inhibition constant for Human Leukocyte Elastase inhibition

J Med Chem 41: 1729-40 (1998)


Article DOI: 10.1021/jm9708341
BindingDB Entry DOI: 10.7270/Q2QV3KNF
More data for this
Ligand-Target Pair