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BDBM50095528 2-(5-Amino-6-oxo-2-phenyl-6H-pyrimidin-1-yl)-N-[1-(5-tert-butyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propyl]-acetamide::CHEMBL147676

SMILES: CC(C)[C@@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccccc1)C(=O)c1nnc(o1)C(C)(C)C

InChI Key: InChIKey=YSIHYROEMJSOAS-QGZVFWFLSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50095528   
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))
BDBM50095528
PNG
(2-(5-Amino-6-oxo-2-phenyl-6H-pyrimidin-1-yl)-N-[1-...)
Show SMILES CC(C)[C@@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccccc1)C(=O)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C23H28N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3,4)5)26-16(30)12-29-19(14-9-7-6-8-10-14)25-11-15(24)21(29)32/h6-11,13,17H,12,24H2,1-5H3,(H,26,30)/t17-/m1/s1
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PC cid
PC sid
UniChem

Patents

PubMed
29.1n/an/an/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 43: 4927-9 (2001)


BindingDB Entry DOI: 10.7270/Q25D8R3S
More data for this
Ligand-Target Pair