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BDBM50036084 2-(8-Methoxy-1-oxo-3-phenyl-1,9-dihydro-beta-carbolin-2-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide::CHEMBL176397

SMILES: COc1cccc2c3cc(-c4ccccc4)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c(O)c3nc12

InChI Key: InChIKey=ZGHMQIVZCVDPDD-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50036084   
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))		BDBM50036084
PNG
(2-(8-Methoxy-1-oxo-3-phenyl-1,9-dihydro-beta-carbo...)
Show SMILES COc1cccc2c3cc(-c4ccccc4)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c(O)c3nc12
Show InChI InChI=1S/C26H24F3N3O4/c1-14(2)21(24(34)26(27,28)29)30-20(33)13-32-18(15-8-5-4-6-9-15)12-17-16-10-7-11-19(36-3)22(16)31-23(17)25(32)35/h4-12,14,21,35H,13H2,1-3H3,(H,30,33)
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PubMed
 17n/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