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BDBM50456586 CHEMBL4205735

SMILES: COc1ccc2cc(ccc2c1)-c1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1

InChI Key: InChIKey=ZOOUMQYUSBXRNQ-KURKYZTESA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50456586   
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
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50456586
PNG
(CHEMBL4205735)
Show SMILES COc1ccc2cc(ccc2c1)-c1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C18H20N4O3/c1-25-14-5-4-11-6-13(3-2-12(11)7-14)15-9-22(21-20-15)10-16-18(24)17(23)8-19-16/h2-7,9,16-19,23-24H,8,10H2,1H3/t16-,17-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-glucocerebrosidase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 45 mins followe...


Eur J Med Chem 138: 532-542 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.055
BindingDB Entry DOI: 10.7270/Q2T43WQR
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50456586
PNG
(CHEMBL4205735)
Show SMILES COc1ccc2cc(ccc2c1)-c1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C18H20N4O3/c1-25-14-5-4-11-6-13(3-2-12(11)7-14)15-9-22(21-20-15)10-16-18(24)17(23)8-19-16/h2-7,9,16-19,23-24H,8,10H2,1H3/t16-,17-,18+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycopyranoside preincubated for 5 mins followed by substrate addition measured af...


Eur J Med Chem 138: 532-542 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.055
BindingDB Entry DOI: 10.7270/Q2T43WQR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50456586
PNG
(CHEMBL4205735)
Show SMILES COc1ccc2cc(ccc2c1)-c1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C18H20N4O3/c1-25-14-5-4-11-6-13(3-2-12(11)7-14)15-9-22(21-20-15)10-16-18(24)17(23)8-19-16/h2-7,9,16-19,23-24H,8,10H2,1H3/t16-,17-,18+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using p-nitrophenyl glycopyranoside preincubated for 5 mins followed by substrate addition measured aft...


Eur J Med Chem 138: 532-542 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.055
BindingDB Entry DOI: 10.7270/Q2T43WQR
More data for this
Ligand-Target Pair