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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'sodium-dependent glucose cotransporter 2 (SGLT2)' and Ligand = 'BDBM50302603'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302603
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-3-27-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(26-2)28-20/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21?/m1/s1
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Article
PubMed
n/an/a 6.30n/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)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302603
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-3-27-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(26-2)28-20/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21?/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 7.10n/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)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302603
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-3-27-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(26-2)28-20/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21?/m1/s1
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 7.10n/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)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302603
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-3-27-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(26-2)28-20/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21?/m1/s1
Reactome pathway
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 280n/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)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair