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BDBM50058367 1-[(S)-2-(4-Dimethylamino-benzoylamino)-3-methyl-butyryl]-pyrrolidine-2-carboxylic acid (3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-amide::CHEMBL56342

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

InChI Key: InChIKey=JFQJERYZFGMYNP-MHJFOBGBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058367   
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))		BDBM50058367
PNG
(1-[(S)-2-(4-Dimethylamino-benzoylamino)-3-methyl-b...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H35F3N4O4/c1-14(2)19(21(33)25(26,27)28)29-23(35)18-8-7-13-32(18)24(36)20(15(3)4)30-22(34)16-9-11-17(12-10-16)31(5)6/h9-12,14-15,18-20H,7-8,13H2,1-6H3,(H,29,35)(H,30,34)/t18?,19?,20-/m0/s1
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Similars
Article
PubMed
 2.5n/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