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BDBM50098832 CHEMBL282947::N-[1-(5-tert-Butyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propyl]-2-(6-oxo-2-phenyl-6H-pyrimidin-1-yl)-acetamide

SMILES: CC(C)[C@H](NC(=O)Cn1c(nccc1=O)-c1ccccc1)C(=O)c1nnc(o1)C(C)(C)C

InChI Key: InChIKey=OGKPWZJGSYIJSS-SFHVURJKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50098832   
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))
BDBM50098832
PNG
(CHEMBL282947 | N-[1-(5-tert-Butyl-[1,3,4]oxadiazol...)
Show SMILES CC(C)[C@H](NC(=O)Cn1c(nccc1=O)-c1ccccc1)C(=O)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C23H27N5O4/c1-14(2)18(19(31)21-26-27-22(32-21)23(3,4)5)25-16(29)13-28-17(30)11-12-24-20(28)15-9-7-6-8-10-15/h6-12,14,18H,13H2,1-5H3,(H,25,29)/t18-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Patents

PubMed
23.5n/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