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BDBM50036100 CHEMBL11398::{2-(4-Amino-phenyl)-6-oxo-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,6-dihydro-pyrimidin-5-yl}-carbamic acid benzyl ester

SMILES: CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(N)cc1)C(=O)C(F)(F)F

InChI Key: InChIKey=NYZPUCRKHRLWBT-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50036100   
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))		BDBM50036100
PNG
(CHEMBL11398 | {2-(4-Amino-phenyl)-6-oxo-1-[(3,3,3-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(N)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H26F3N5O5/c1-15(2)21(22(36)26(27,28)29)33-20(35)13-34-23(17-8-10-18(30)11-9-17)31-12-19(24(34)37)32-25(38)39-14-16-6-4-3-5-7-16/h3-12,15,21H,13-14,30H2,1-2H3,(H,32,38)(H,33,35)
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Similars
PubMed
 3.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair