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BDBM50035502 (S)-1-[(S)-3-Methyl-2-(3-pyridin-3-yl-propionylamino)-butyryl]-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide::CHEMBL343943

SMILES: CC(C)[C@H](NC(=O)CCc1cccnc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F

InChI Key: InChIKey=RIFPETVBRXWFIT-SPFPWHRZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50035502   
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))		BDBM50035502
PNG
((S)-1-[(S)-3-Methyl-2-(3-pyridin-3-yl-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)CCc1cccnc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C25H33F5N4O4/c1-14(2)19(21(36)24(26,27)25(28,29)30)33-22(37)17-8-6-12-34(17)23(38)20(15(3)4)32-18(35)10-9-16-7-5-11-31-13-16/h5,7,11,13-15,17,19-20H,6,8-10,12H2,1-4H3,(H,32,35)(H,33,37)/t17-,19?,20-/m0/s1
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 29n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair