BindingDB logo
myBDB logout

BDBM50089683 CHEMBL3577324

SMILES: CCc1nc(N)nc(N)c1-c1cc(C)cc(C)c1

InChI Key: InChIKey=MGGDEPLAHKTDIV-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 = 50089683   
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
Beta-hexosaminidase subunit alpha (HexA)


(Homo sapiens (Human))
BDBM50089683
PNG
(CHEMBL3577324)
Show SMILES CCc1nc(N)nc(N)c1-c1cc(C)cc(C)c1
Show InChI InChI=1S/C14H18N4/c1-4-11-12(13(15)18-14(16)17-11)10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70E+4n/an/an/an/an/an/a



Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada.

Curated by ChEMBL


Assay Description
Inhibition of human placental HexA using pNPGlcNAc substrate


J Med Chem 58: 4483-93 (2015)

More data for this
Ligand-Target Pair