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BDBM50036072 1-Oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-2,3,4,9-tetrahydro-1H-beta-carboline-8-carboxylic acid::CHEMBL174548

SMILES: CC(C)C(NC(=O)CN1CCc2c([nH]c3c(cccc23)C(O)=O)C1=O)C(=O)C(F)(F)F

InChI Key: InChIKey=GDDHWJRVOJSAHA-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50036072   
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))		BDBM50036072
PNG
(1-Oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl...)
Show SMILES CC(C)C(NC(=O)CN1CCc2c([nH]c3c(cccc23)C(O)=O)C1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H20F3N3O5/c1-9(2)14(17(28)20(21,22)23)24-13(27)8-26-7-6-11-10-4-3-5-12(19(30)31)15(10)25-16(11)18(26)29/h3-5,9,14,25H,6-8H2,1-2H3,(H,24,27)(H,30,31)
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PubMed
 27n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair