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BDBM50005885 2-Hexyl-1-hydroxy-8-methoxy-anthraquinone::CHEMBL40805

SMILES: CCCCCCc1ccc2C(=O)c3cccc(OC)c3C(=O)c2c1O

InChI Key: InChIKey=RZFKRQYRACLCPU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50005885   
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))
BDBM50005885
PNG
(2-Hexyl-1-hydroxy-8-methoxy-anthraquinone | CHEMBL...)
Show SMILES CCCCCCc1ccc2C(=O)c3cccc(OC)c3C(=O)c2c1O
Show InChI InChI=1S/C21H22O4/c1-3-4-5-6-8-13-11-12-15-18(19(13)22)21(24)17-14(20(15)23)9-7-10-16(17)25-2/h7,9-12,22H,3-6,8H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+3n/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


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
Cathepsin G


(Homo sapiens)
BDBM50005885
PNG
(2-Hexyl-1-hydroxy-8-methoxy-anthraquinone | CHEMBL...)
Show SMILES CCCCCCc1ccc2C(=O)c3cccc(OC)c3C(=O)c2c1O
Show InChI InChI=1S/C21H22O4/c1-3-4-5-6-8-13-11-12-15-18(19(13)22)21(24)17-14(20(15)23)9-7-10-16(17)25-2/h7,9-12,22H,3-6,8H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>6.00E+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 Cathepsin G


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