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BDBM50313374 (5S,6R,7R,8S)-5-(3-(4-ethylbenzyl)-4-methylphenyl)-4-oxaspiro[2.5]octane-6,7,8-triol::CHEMBL1098376

SMILES: CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CC3)[C@@H](O)[C@H](O)[C@H]2O)cc1

InChI Key: InChIKey=LVXRZEAKFCKSGM-CZYKHXBRSA-N

Data: 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 3 hits for monomerid = 50313374   
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
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50313374
PNG
((5S,6R,7R,8S)-5-(3-(4-ethylbenzyl)-4-methylphenyl)...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H28O4/c1-3-15-5-7-16(8-6-15)12-18-13-17(9-4-14(18)2)21-19(24)20(25)22(26)23(27-21)10-11-23/h4-9,13,19-22,24-26H,3,10-12H2,1-2H3/t19-,20-,21+,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50313374
PNG
((5S,6R,7R,8S)-5-(3-(4-ethylbenzyl)-4-methylphenyl)...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H28O4/c1-3-15-5-7-16(8-6-15)12-18-13-17(9-4-14(18)2)21-19(24)20(25)22(26)23(27-21)10-11-23/h4-9,13,19-22,24-26H,3,10-12H2,1-2H3/t19-,20-,21+,22+/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by fluorescence polarization assay


Bioorg Med Chem Lett 20: 6560-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.046
BindingDB Entry DOI: 10.7270/Q27D2VCZ
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50313374
PNG
((5S,6R,7R,8S)-5-(3-(4-ethylbenzyl)-4-methylphenyl)...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CC3)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H28O4/c1-3-15-5-7-16(8-6-15)12-18-13-17(9-4-14(18)2)21-19(24)20(25)22(26)23(27-21)10-11-23/h4-9,13,19-22,24-26H,3,10-12H2,1-2H3/t19-,20-,21+,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair