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BDBM50036074 2-(1-Oxo-1,9-dihydro-beta-carbolin-2-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide::CHEMBL367631

SMILES: CC(C)C(NC(=O)Cn1ccc2c(nc3ccccc23)c1O)C(=O)C(F)(F)F

InChI Key: InChIKey=QPFLJGQQATWAHY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50036074   
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
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036074
PNG
(2-(1-Oxo-1,9-dihydro-beta-carbolin-2-yl)-N-(3,3,3-...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c(nc3ccccc23)c1O)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H18F3N3O3/c1-10(2)15(17(27)19(20,21)22)24-14(26)9-25-8-7-12-11-5-3-4-6-13(11)23-16(12)18(25)28/h3-8,10,15,28H,9H2,1-2H3,(H,24,26)
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PubMed
 290n/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