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SMILES: CCc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1

InChI Key: InChIKey=OHRKRXVNXLWIQW-BDHVOXNPSA-N

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 = 50303243   
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


(Homo sapiens (Human))
BDBM50303243
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(4-ethylbenzyl)-6'...)
Show SMILES CCc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C22H25ClO6/c1-2-12-3-5-13(6-4-12)7-14-8-16-15(9-17(14)23)11-28-22(16)21(27)20(26)19(25)18(10-24)29-22/h3-6,8-9,18-21,24-27H,2,7,10-11H2,1H3/t18-,19-,20+,21-,22+/m1/s1
PDB

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Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting


Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50303243
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(4-ethylbenzyl)-6'...)
Show SMILES CCc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C22H25ClO6/c1-2-12-3-5-13(6-4-12)7-14-8-16-15(9-17(14)23)11-28-22(16)21(27)20(26)19(25)18(10-24)29-22/h3-6,8-9,18-21,24-27H,2,7,10-11H2,1H3/t18-,19-,20+,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM50303243
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(4-ethylbenzyl)-6'...)
Show SMILES CCc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C22H25ClO6/c1-2-12-3-5-13(6-4-12)7-14-8-16-15(9-17(14)23)11-28-22(16)21(27)20(26)19(25)18(10-24)29-22/h3-6,8-9,18-21,24-27H,2,7,10-11H2,1H3/t18-,19-,20+,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 158n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins


J Med Chem 55: 7828-40 (2012)


Article DOI: 10.1021/jm300884k
BindingDB Entry DOI: 10.7270/Q2MW2J9K
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50303243
PNG
((1S,3'R,4'S,5'S,6'R)-5-chloro-6-(4-ethylbenzyl)-6'...)
Show SMILES CCc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1 |r|
Show InChI InChI=1S/C22H25ClO6/c1-2-12-3-5-13(6-4-12)7-14-8-16-15(9-17(14)23)11-28-22(16)21(27)20(26)19(25)18(10-24)29-22/h3-6,8-9,18-21,24-27H,2,7,10-11H2,1H3/t18-,19-,20+,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting


Bioorg Med Chem Lett 19: 6877-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.088
BindingDB Entry DOI: 10.7270/Q2MC903R
More data for this
Ligand-Target Pair