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BDBM50098828 2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-{1-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazole-2-carbonyl]-2-methyl-propyl}-acetamide::CHEMBL282967

SMILES: COc1ccc(cc1)-c1nnc(o1)C(=O)[C@@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(C)C

InChI Key: InChIKey=SJUJFSKKKYJEMF-NRFANRHFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50098828   
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))		BDBM50098828
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES COc1ccc(cc1)-c1nnc(o1)C(=O)[C@@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C26H25FN6O5/c1-14(2)21(22(35)25-32-31-24(38-25)16-6-10-18(37-3)11-7-16)30-20(34)13-33-23(29-12-19(28)26(33)36)15-4-8-17(27)9-5-15/h4-12,14,21H,13,28H2,1-3H3,(H,30,34)/t21-/m0/s1
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PubMed
 21.2n/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