BindingDB logo
myBDB logout

BDBM50005909 1-Hydroxy-8-methoxy-2-methyl-anthraquinone::CHEMBL40192

SMILES: COc1cccc2C(=O)c3ccc(C)c(O)c3C(=O)c12

InChI Key: InChIKey=NGMVQANAAHWVBH-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50005909   
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))
BDBM50005909
PNG
(1-Hydroxy-8-methoxy-2-methyl-anthraquinone | CHEMB...)
Show SMILES COc1cccc2C(=O)c3ccc(C)c(O)c3C(=O)c12
Show InChI InChI=1S/C16H12O4/c1-8-6-7-10-13(14(8)17)16(19)12-9(15(10)18)4-3-5-11(12)20-2/h3-7,17H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


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