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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50098816   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neutrophil elastase


(Homo sapiens (Human))		BDBM50098816
PNG
(2-(5-Amino-6-oxo-2-pyridin-3-yl-6H-pyrimidin-1-yl)...)
Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1cccnc1)C(=O)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C22H27N7O4/c1-12(2)16(17(31)19-27-28-21(33-19)22(3,4)5)26-15(30)11-29-18(13-7-6-8-24-9-13)25-10-14(23)20(29)32/h6-10,12,16H,11,23H2,1-5H3,(H,26,30)/t16-/m0/s1
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PubMed
 16.6n/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