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BDBM50005910 3-Dibromomethyl-1,6,8-trimethoxy-anthraquinone::CHEMBL39204

SMILES: COc1cc(OC)c2C(=O)c3c(OC)cc(cc3C(=O)c2c1)C(Br)Br

InChI Key: InChIKey=VVDQHINJUILUIV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50005910   
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))
BDBM50005910
PNG
(3-Dibromomethyl-1,6,8-trimethoxy-anthraquinone | C...)
Show SMILES COc1cc(OC)c2C(=O)c3c(OC)cc(cc3C(=O)c2c1)C(Br)Br
Show InChI InChI=1S/C18H14Br2O5/c1-23-9-6-11-15(13(7-9)25-3)17(22)14-10(16(11)21)4-8(18(19)20)5-12(14)24-2/h4-7,18H,1-3H3
PDB
MMDB

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Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 30 uM concentration


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair