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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50029717   
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))		BDBM50029717
PNG
(2-(3-Chloro-6-methyl-2-oxo-2H-pyran-4-yloxymethyl)...)
Show SMILES COc1cc2c(C(=O)N(COc3cc(C)oc(=O)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C18H18ClNO7S/c1-9(2)12-6-11(25-4)7-14-15(12)17(21)20(28(14,23)24)8-26-13-5-10(3)27-18(22)16(13)19/h5-7,9H,8H2,1-4H3
PDB
MMDB

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PC sid
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Similars
PubMed
 0.0250n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant

J Med Chem 38: 4687-92 (1995)


BindingDB Entry DOI: 10.7270/Q2KP816X
More data for this
Ligand-Target Pair