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BDBM50036090 2-(5-Amino-6-oxo-2-thiophen-2-yl-6H-pyrimidin-1-yl)-N-[2-methyl-1-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-propyl]-acetamide::CHEMBL11113

SMILES: CC(C)C(NC(=O)Cn1c(ncc(N)c1=O)-c1cccs1)B1OC(C)(C)C(C)(C)O1

InChI Key: InChIKey=SLFPOHVGHQHLGG-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50036090   
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))		BDBM50036090
PNG
(2-(5-Amino-6-oxo-2-thiophen-2-yl-6H-pyrimidin-1-yl...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(N)c1=O)-c1cccs1)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C20H29BN4O4S/c1-12(2)16(21-28-19(3,4)20(5,6)29-21)24-15(26)11-25-17(14-8-7-9-30-14)23-10-13(22)18(25)27/h7-10,12,16H,11,22H2,1-6H3,(H,24,26)
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Similars
PubMed
 4.90n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 98-108 (1995)


BindingDB Entry DOI: 10.7270/Q2JW8CX7
More data for this
Ligand-Target Pair