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BDBM50065155 2-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide::CHEMBL311756

SMILES: CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1Cc2ccccc2CC1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F

InChI Key: InChIKey=YBCMZSPAMQULRR-RCSZBHJWSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50065155   
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))		BDBM50065155
PNG
(2-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-benzo...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1Cc2ccccc2CC1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C34H39F5N4O6/c1-19(2)26(28(44)33(35,36)34(37,38)39)40-30(46)25-17-23-7-5-6-8-24(23)18-43(25)32(48)27(20(3)4)41-29(45)21-9-11-22(12-10-21)31(47)42-13-15-49-16-14-42/h5-12,19-20,25-27H,13-18H2,1-4H3,(H,40,46)(H,41,45)/t25?,26?,27-/m0/s1
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 100n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel Inc.

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.

J Med Chem 41: 2461-80 (1998)


Article DOI: 10.1021/jm970812e
BindingDB Entry DOI: 10.7270/Q23X85S8
More data for this
Ligand-Target Pair