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BDBM50036066 CHEMBL174504::Carbonic acid methyl ester 1-oxo-3-phenyl-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-2,9-dihydro-1H-beta-carbolin-8-yl ester

SMILES: COC(=O)Oc1cccc2c3cc(-c4ccccc4)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c(O)c3nc12

InChI Key: InChIKey=BRWPQCCUELZBCD-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50036066   
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))		BDBM50036066
PNG
(CHEMBL174504 | Carbonic acid methyl ester 1-oxo-3-...)
Show SMILES COC(=O)Oc1cccc2c3cc(-c4ccccc4)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c(O)c3nc12
Show InChI InChI=1S/C27H24F3N3O6/c1-14(2)21(24(35)27(28,29)30)31-20(34)13-33-18(15-8-5-4-6-9-15)12-17-16-10-7-11-19(39-26(37)38-3)22(16)32-23(17)25(33)36/h4-12,14,21,36H,13H2,1-3H3,(H,31,34)
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PubMed
 24n/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