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BDBM50321299 (2S,3R,4R,5S,6R)-2-(4-chloro-5-(4-ethylbenzyl)-2-((prop-2-ynyloxy)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol::CHEMBL1164052

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

InChI Key: InChIKey=DJEZCKUBDXBQFT-RXFVIIJJSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50321299   
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))
BDBM50321299
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(COCC#C)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H29ClO6/c1-3-9-31-14-18-12-20(26)17(10-16-7-5-15(4-2)6-8-16)11-19(18)25-24(30)23(29)22(28)21(13-27)32-25/h1,5-8,11-12,21-25,27-30H,4,9-10,13-14H2,2H3/t21-,22-,23+,24-,25+/m1/s1
UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+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 (SGLT2)


(Homo sapiens (Human))
BDBM50321299
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(COCC#C)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H29ClO6/c1-3-9-31-14-18-12-20(26)17(10-16-7-5-15(4-2)6-8-16)11-19(18)25-24(30)23(29)22(28)21(13-27)32-25/h1,5-8,11-12,21-25,27-30H,4,9-10,13-14H2,2H3/t21-,22-,23+,24-,25+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.300n/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