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BDBM50028222 CHEMBL3354042

SMILES: COc1ccc(cc1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1

InChI Key: InChIKey=BSXLSTWHMGWCHH-XPMCNPKANA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50028222   
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))
BDBM50028222
PNG
(CHEMBL3354042)
Show SMILES COc1ccc(cc1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1
Show InChI InChI=1/C25H35NO6/c1-31-21-11-9-20(10-12-21)19-7-5-18(6-8-19)17-32-14-4-2-3-13-26-15-23(28)25(30)24(29)22(26)16-27/h5-12,22-25,27-30H,2-4,13-17H2,1H3/t22-,23+,24-,25-/s2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/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
Beta-glucosidase


(Homo sapiens (Human))
BDBM50028222
PNG
(CHEMBL3354042)
Show SMILES COc1ccc(cc1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1
Show InChI InChI=1/C25H35NO6/c1-31-21-11-9-20(10-12-21)19-7-5-18(6-8-19)17-32-14-4-2-3-13-26-15-23(28)25(30)24(29)22(26)16-27/h5-12,22-25,27-30H,2-4,13-17H2,1H3/t22-,23+,24-,25-/s2
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/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
Glucosylceramidase


(Homo sapiens (Human))
BDBM50028222
PNG
(CHEMBL3354042)
Show SMILES COc1ccc(cc1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1
Show InChI InChI=1/C25H35NO6/c1-31-21-11-9-20(10-12-21)19-7-5-18(6-8-19)17-32-14-4-2-3-13-26-15-23(28)25(30)24(29)22(26)16-27/h5-12,22-25,27-30H,2-4,13-17H2,1H3/t22-,23+,24-,25-/s2
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/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