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BDBM50005164 4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{[2-(3,4-dimethoxy-phenyl)-ethyl]-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-carbamoyl}-2-methyl-propyl)-benzamide::CHEMBL346534

SMILES: COc1ccc(CCN(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)cc1OC

InChI Key: InChIKey=CIULFVWQBFILOP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50005164   
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))		BDBM50005164
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{[2...)
Show SMILES COc1ccc(CCN(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)cc1OC
Show InChI InChI=1S/C37H42ClF3N4O9S/c1-21(2)31(33(47)37(39,40)41)42-30(46)20-45(18-17-23-7-16-28(53-5)29(19-23)54-6)36(50)32(22(3)4)43-34(48)24-8-10-25(11-9-24)35(49)44-55(51,52)27-14-12-26(38)13-15-27/h7-16,19,21-22,31-32H,17-18,20H2,1-6H3,(H,42,46)(H,43,48)(H,44,49)
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PubMed
n/an/a 84n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase

J Med Chem 35: 641-62 (1992)


BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair