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BDBM50028178 CHEMBL3354623

SMILES: C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=DKPSDLOOZAIQNL-GOZZSVHWSA-N

Data: 6 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 6 hits for monomerid = 50028178   
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
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50028178
PNG
(CHEMBL3354623)
Show SMILES C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H35NO5/c1-18(19-10-12-21(13-11-19)20-8-4-2-5-9-20)31-15-7-3-6-14-26-16-23(28)25(30)24(29)22(26)17-27/h2,4-5,8-13,18,22-25,27-30H,3,6-7,14-17H2,1H3/t18-,22-,23+,24-,25-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50028178
PNG
(CHEMBL3354623)
Show SMILES C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H35NO5/c1-18(19-10-12-21(13-11-19)20-8-4-2-5-9-20)31-15-7-3-6-14-26-16-23(28)25(30)24(29)22(26)17-27/h2,4-5,8-13,18,22-25,27-30H,3,6-7,14-17H2,1H3/t18-,22-,23+,24-,25-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA1 (unknown origin) using beta-D-[1-14C]glucocerebroside assessed as 4-methylumbelliferrone by fluorimetry


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50028178
PNG
(CHEMBL3354623)
Show SMILES C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H35NO5/c1-18(19-10-12-21(13-11-19)20-8-4-2-5-9-20)31-15-7-3-6-14-26-16-23(28)25(30)24(29)22(26)17-27/h2,4-5,8-13,18,22-25,27-30H,3,6-7,14-17H2,1H3/t18-,22-,23+,24-,25-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal maltase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Homo sapiens (Human))
BDBM50028178
PNG
(CHEMBL3354623)
Show SMILES C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H35NO5/c1-18(19-10-12-21(13-11-19)20-8-4-2-5-9-20)31-15-7-3-6-14-26-16-23(28)25(30)24(29)22(26)17-27/h2,4-5,8-13,18,22-25,27-30H,3,6-7,14-17H2,1H3/t18-,22-,23+,24-,25-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal sucrase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Lactase/phlorizin hydrolase


(Homo sapiens (Human))
BDBM50028178
PNG
(CHEMBL3354623)
Show SMILES C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H35NO5/c1-18(19-10-12-21(13-11-19)20-8-4-2-5-9-20)31-15-7-3-6-14-26-16-23(28)25(30)24(29)22(26)17-27/h2,4-5,8-13,18,22-25,27-30H,3,6-7,14-17H2,1H3/t18-,22-,23+,24-,25-/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of intestinal lactase (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50028178
PNG
(CHEMBL3354623)
Show SMILES C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H35NO5/c1-18(19-10-12-21(13-11-19)20-8-4-2-5-9-20)31-15-7-3-6-14-26-16-23(28)25(30)24(29)22(26)17-27/h2,4-5,8-13,18,22-25,27-30H,3,6-7,14-17H2,1H3/t18-,22-,23+,24-,25-/m1/s1
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PubMed
n/an/a 3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of GBA2 (unknown origin)


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair