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BDBM50005157 (1-{Indan-2-yl-[2-(3,3,3-trifluoro-1-isopropyl-2-oxo-propylamino)-ethyl]-carbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL160948

SMILES: CC(C)C(NCCN(C1Cc2ccccc2C1)C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=OZAZAELQXITESY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50005157   
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))		BDBM50005157
PNG
((1-{Indan-2-yl-[2-(3,3,3-trifluoro-1-isopropyl-2-o...)
Show SMILES CC(C)C(NCCN(C1Cc2ccccc2C1)C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H40F3N3O4/c1-16(2)21(23(34)27(28,29)30)31-12-13-33(20-14-18-10-8-9-11-19(18)15-20)24(35)22(17(3)4)32-25(36)37-26(5,6)7/h8-11,16-17,20-22,31H,12-15H2,1-7H3,(H,32,36)
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PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase

J Med Chem 35: 641-62 (1992)


BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair