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BDBM50037335 CHEMBL418822::{6-Oxo-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,6-dihydro-[2,3']bipyridinyl-5-yl}-carbamic acid benzyl ester

SMILES: CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1cccnc1)C(=O)C(F)(F)F

InChI Key: InChIKey=MPUFYLGJTSPHOB-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037335   
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))		BDBM50037335
PNG
(CHEMBL418822 | {6-Oxo-1-[(3,3,3-trifluoro-1-isopro...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1cccnc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H25F3N4O5/c1-16(2)22(23(35)26(27,28)29)32-21(34)14-33-20(18-9-6-12-30-13-18)11-10-19(24(33)36)31-25(37)38-15-17-7-4-3-5-8-17/h3-13,16,22H,14-15H2,1-2H3,(H,31,37)(H,32,34)
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PubMed
 9.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair