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BDBM50058360 4-(3-{(S)-2-Methyl-1-[2-(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-pyrrolidine-1-carbonyl]-propyl}-ureido)-benzoic acid::CHEMBL435774

SMILES: CC(C)[C@H](NC(=O)Nc1ccc(cc1)C(O)=O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=JTBUXKMHYWYVHK-ABHNRTSZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058360   
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))		BDBM50058360
PNG
(4-(3-{(S)-2-Methyl-1-[2-(3,3,3-trifluoro-1-isoprop...)
Show SMILES CC(C)[C@H](NC(=O)Nc1ccc(cc1)C(O)=O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H31F3N4O6/c1-12(2)17(19(32)24(25,26)27)29-20(33)16-6-5-11-31(16)21(34)18(13(3)4)30-23(37)28-15-9-7-14(8-10-15)22(35)36/h7-10,12-13,16-18H,5-6,11H2,1-4H3,(H,29,33)(H,35,36)(H2,28,30,37)/t16?,17?,18-/m0/s1
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Similars
Article
PubMed
 10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair