BindingDB logo
myBDB logout

BDBM50318564 (1R,2S,3r,4R,5S,6s)-6-((1-dodecyl-1H-1,2,3-triazol-4-yl)methylamino)cyclohexane-1,2,3,4,5-pentaol::CHEMBL1084109

SMILES: CCCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1

InChI Key: InChIKey=BNEBWGRZFSZRAG-XLGNRPJKSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50318564   
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
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM50318564
PNG
((1R,2S,3r,4R,5S,6s)-6-((1-dodecyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C21H40N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-25-14-15(23-24-25)13-22-16-17(26)19(28)21(30)20(29)18(16)27/h14,16-22,26-30H,2-13H2,1H3/t16-,17-,18+,19+,20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
60n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Competitive inhibition of beta-glucocerebrosidase at pH 5.2 by Lineweaver-Burke plot analysis


J Med Chem 53: 5248-55 (2010)

More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM50318564
PNG
((1R,2S,3r,4R,5S,6s)-6-((1-dodecyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C21H40N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-25-14-15(23-24-25)13-22-16-17(26)19(28)21(30)20(29)18(16)27/h14,16-22,26-30H,2-13H2,1H3/t16-,17-,18+,19+,20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)

More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM50318564
PNG
((1R,2S,3r,4R,5S,6s)-6-((1-dodecyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C21H40N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-25-14-15(23-24-25)13-22-16-17(26)19(28)21(30)20(29)18(16)27/h14,16-22,26-30H,2-13H2,1H3/t16-,17-,18+,19+,20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)

More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM50318564
PNG
((1R,2S,3r,4R,5S,6s)-6-((1-dodecyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C21H40N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-25-14-15(23-24-25)13-22-16-17(26)19(28)21(30)20(29)18(16)27/h14,16-22,26-30H,2-13H2,1H3/t16-,17-,18+,19+,20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 30.2n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)

More data for this
Ligand-Target Pair