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BDBM50058389 1-{(S)-2-[2-(Acetyl-propyl-amino)-acetylamino]-3-methyl-butyryl}-pyrrolidine-2-carboxylic acid (3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-amide::CHEMBL2372970

SMILES: CCCN(CC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F)C(C)=O

InChI Key: InChIKey=VCHZQMARTJNBML-WDSOQIARSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058389   
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))		BDBM50058389
PNG
(1-{(S)-2-[2-(Acetyl-propyl-amino)-acetylamino]-3-m...)
Show SMILES CCCN(CC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F)C(C)=O
Show InChI InChI=1S/C23H37F3N4O5/c1-7-10-29(15(6)31)12-17(32)27-19(14(4)5)22(35)30-11-8-9-16(30)21(34)28-18(13(2)3)20(33)23(24,25)26/h13-14,16,18-19H,7-12H2,1-6H3,(H,27,32)(H,28,34)/t16-,18-,19-/m0/s1
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Similars
Article
PubMed
 2n/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