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BDBM50321290 (2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-((2-hydroxyethoxy)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol::CHEMBL1165840

SMILES: CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCCO)cc2Cl)cc1

InChI Key: InChIKey=VMKXALKMLJJDTP-SJSRKZJXSA-N

Data: 2 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 2 hits for monomerid = 50321290   
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))
BDBM50321290
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCCO)cc2Cl)cc1 |r|
Show InChI InChI=1S/C24H31ClO7/c1-2-14-3-5-15(6-4-14)9-16-10-18(17(11-19(16)25)13-31-8-7-26)24-23(30)22(29)21(28)20(12-27)32-24/h3-6,10-11,20-24,26-30H,2,7-9,12-13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 2 ...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50321290
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-(...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCCO)cc2Cl)cc1 |r|
Show InChI InChI=1S/C24H31ClO7/c1-2-14-3-5-15(6-4-14)9-16-10-18(17(11-19(16)25)13-31-8-7-26)24-23(30)22(29)21(28)20(12-27)32-24/h3-6,10-11,20-24,26-30H,2,7-9,12-13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid sci...


Bioorg Med Chem 18: 4422-32 (2010)


Article DOI: 10.1016/j.bmc.2010.04.088
BindingDB Entry DOI: 10.7270/Q2TM7B8N
More data for this
Ligand-Target Pair