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BDBM50036085 2-(8-Cyano-3-isopropyl-1-oxo-1,9-dihydro-beta-carbolin-2-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide::CHEMBL173359

SMILES: CC(C)C(NC(=O)Cn1c(O)c2nc3c(cccc3c2cc1C(C)C)C#N)C(=O)C(F)(F)F

InChI Key: InChIKey=VYTPBOXYQSVOQS-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50036085   
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))		BDBM50036085
PNG
(2-(8-Cyano-3-isopropyl-1-oxo-1,9-dihydro-beta-carb...)
Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3c(cccc3c2cc1C(C)C)C#N)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O3/c1-11(2)16-8-15-14-7-5-6-13(9-27)19(14)29-20(15)22(33)30(16)10-17(31)28-18(12(3)4)21(32)23(24,25)26/h5-8,11-12,18,33H,10H2,1-4H3,(H,28,31)
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PubMed
 28n/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