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BDBM50005882 1,8-Dihydroxy-2-propyl-anthraquinone::CHEMBL40292

SMILES: CCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O

InChI Key: InChIKey=ASGZSJBCACSXRC-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50005882   
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
Cathepsin G


(Homo sapiens)
BDBM50005882
PNG
(1,8-Dihydroxy-2-propyl-anthraquinone | CHEMBL40292)
Show SMILES CCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C17H14O4/c1-2-4-9-7-8-11-14(15(9)19)17(21)13-10(16(11)20)5-3-6-12(13)18/h3,5-8,18-19H,2,4H2,1H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin G (CatG)


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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005882
PNG
(1,8-Dihydroxy-2-propyl-anthraquinone | CHEMBL40292)
Show SMILES CCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C17H14O4/c1-2-4-9-7-8-11-14(15(9)19)17(21)13-10(16(11)20)5-3-6-12(13)18/h3,5-8,18-19H,2,4H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.20E+3n/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