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BDBM50004192 CHEMBL344981::[2-(4-{2-[(2-Benzyloxycarbonylamino-3-methyl-butyryl)-indan-2-yl-amino]-acetylamino}-2,2-difluoro-5-methyl-3-oxo-hexanoylamino)-acetylamino]-acetic acid ethyl ester

SMILES: CCOC(=O)CNC(=O)CNC(=O)C(F)(F)C(=O)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(C)C

InChI Key: InChIKey=FYRSOHWNKUKRIN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50004192   
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))		BDBM50004192
PNG
(CHEMBL344981 | [2-(4-{2-[(2-Benzyloxycarbonylamino...)
Show SMILES CCOC(=O)CNC(=O)CNC(=O)C(F)(F)C(=O)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C37H47F2N5O9/c1-6-52-30(47)19-40-28(45)18-41-35(50)37(38,39)33(48)31(22(2)3)42-29(46)20-44(27-16-25-14-10-11-15-26(25)17-27)34(49)32(23(4)5)43-36(51)53-21-24-12-8-7-9-13-24/h7-15,22-23,27,31-32H,6,16-21H2,1-5H3,(H,40,45)(H,41,50)(H,42,46)(H,43,51)
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Similars
PubMed
n/an/a 69n/an/an/an/a7.5n/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5

J Med Chem 35: 4795-808 (1993)


BindingDB Entry DOI: 10.7270/Q2HX1BM5
More data for this
Ligand-Target Pair