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BDBM50058347 CHEMBL56713::N-{(S)-2-Methyl-1-[2-(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-pyrrolidine-1-carbonyl]-propyl}-terephthalamic acid methyl ester

SMILES: COC(=O)c1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=JPUSLOYSONCXPC-ACBHZAAOSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058347   
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))		BDBM50058347
PNG
(CHEMBL56713 | N-{(S)-2-Methyl-1-[2-(3,3,3-trifluor...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O6/c1-13(2)18(20(32)25(26,27)28)29-22(34)17-7-6-12-31(17)23(35)19(14(3)4)30-21(33)15-8-10-16(11-9-15)24(36)37-5/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,29,34)(H,30,33)/t17?,18?,19-/m0/s1
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Similars
Article
PubMed
 1.80n/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