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BDBM50431651 CHEMBL2349236

SMILES: CCCCCCCCCCCCCCCC(=O)C1=C(OCc2ccccc2)[C@@H](CO)OC1=O

InChI Key: InChIKey=AKJPJHLDVPBDRH-KSYWNVGFNA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50431651   
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
Heparanase


(Homo sapiens (Human))
BDBM50431651
PNG
(CHEMBL2349236)
Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(OCc2ccccc2)[C@@H](CO)OC1=O
Show InChI InChI=1/C28H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(30)26-27(25(21-29)33-28(26)31)32-22-23-18-15-14-16-19-23/h14-16,18-19,25,29H,2-13,17,20-22H2,1H3/t25-/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es

Curated by ChEMBL


Assay Description
Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 21: 1944-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.033
BindingDB Entry DOI: 10.7270/Q2HQ419G
More data for this
Ligand-Target Pair