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BDBM50098820 2-[1-(5-tert-Butyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propylcarbamoyl]-2,3-dihydro-indole-1-carboxylic acid isopropyl ester::CHEMBL23100

SMILES: CC(C)OC(=O)N1[C@@H](Cc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)c1nnc(o1)C(C)(C)C

InChI Key: InChIKey=XYYFNLZWNFTMCW-ROUUACIJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50098820   
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))		BDBM50098820
PNG
(2-[1-(5-tert-Butyl-[1,3,4]oxadiazole-2-carbonyl)-2...)
Show SMILES CC(C)OC(=O)N1[C@@H](Cc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C24H32N4O5/c1-13(2)18(19(29)21-26-27-22(33-21)24(5,6)7)25-20(30)17-12-15-10-8-9-11-16(15)28(17)23(31)32-14(3)4/h8-11,13-14,17-18H,12H2,1-7H3,(H,25,30)/t17-,18-/m0/s1
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 114n/an/an/an/an/an/an/an/a



Cortech, Inc.

Curated by ChEMBL


Assay Description
Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate

J Med Chem 44: 1268-85 (2001)


BindingDB Entry DOI: 10.7270/Q2B858VW
More data for this
Ligand-Target Pair