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BDBM50302625 (2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6-isopropoxytetrahydro-2H-pyran-3,4,5-triol::CHEMBL585876

SMILES: CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC(C)C)[C@@H](O)[C@H](O)[C@H]2O)cc1

InChI Key: InChIKey=UTJMJMFVPBQKQV-VBRJGFDYSA-N

Data: 4 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 4 hits for monomerid = 50302625   
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 2 (SGLT2)


(Homo sapiens (Human))
BDBM50302625
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC(C)C)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C23H29ClO6/c1-4-28-17-8-5-14(6-9-17)11-16-12-15(7-10-18(16)24)22-20(26)19(25)21(27)23(30-22)29-13(2)3/h5-10,12-13,19-23,25-27H,4,11H2,1-3H3/t19-,20-,21+,22+,23?/m1/s1
UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake


J Med Chem 52: 6201-4 (2009)

More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302625
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC(C)C)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C23H29ClO6/c1-4-28-17-8-5-14(6-9-17)11-16-12-15(7-10-18(16)24)22-20(26)19(25)21(27)23(30-22)29-13(2)3/h5-10,12-13,19-23,25-27H,4,11H2,1-3H3/t19-,20-,21+,22+,23?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)

More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302625
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC(C)C)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C23H29ClO6/c1-4-28-17-8-5-14(6-9-17)11-16-12-15(7-10-18(16)24)22-20(26)19(25)21(27)23(30-22)29-13(2)3/h5-10,12-13,19-23,25-27H,4,11H2,1-3H3/t19-,20-,21+,22+,23?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)

More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50302625
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC(C)C)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C23H29ClO6/c1-4-28-17-8-5-14(6-9-17)11-16-12-15(7-10-18(16)24)22-20(26)19(25)21(27)23(30-22)29-13(2)3/h5-10,12-13,19-23,25-27H,4,11H2,1-3H3/t19-,20-,21+,22+,23?/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake


J Med Chem 52: 6201-4 (2009)

More data for this
Ligand-Target Pair