BindingDB logo
myBDB logout

BDBM50319044 (2S,3R,4R,5S,6R)-2-(4-chloro-3-((6-(pentyloxy)pyridazin-3-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol::CHEMBL1085547::US8541380, 54

SMILES: CCCCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1

InChI Key: InChIKey=WRKPEMFYICYEBT-VOFPXKNKSA-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 = 50319044   
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


(Homo sapiens (Human))
BDBM50319044
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-((6-(pentyloxy)pyri...)
Show SMILES CCCCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C22H29ClN2O6/c1-2-3-4-9-30-18-8-6-15(24-25-18)11-14-10-13(5-7-16(14)23)22-21(29)20(28)19(27)17(12-26)31-22/h5-8,10,17,19-22,26-29H,2-4,9,11-12H2,1H3/t17-,19-,20+,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 20: 3420-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.006
BindingDB Entry DOI: 10.7270/Q24J0F8B
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50319044
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-((6-(pentyloxy)pyri...)
Show SMILES CCCCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C22H29ClN2O6/c1-2-3-4-9-30-18-8-6-15(24-25-18)11-14-10-13(5-7-16(14)23)22-21(29)20(28)19(27)17(12-26)31-22/h5-8,10,17,19-22,26-29H,2-4,9,11-12H2,1H3/t17-,19-,20+,21-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 17n/an/an/an/an/an/a



Green Cross Corporation

US Patent


Assay Description
Inhibition assay using hSGLT2.


US Patent US8541380 (2013)


BindingDB Entry DOI: 10.7270/Q2T43RQ3
More data for this
Ligand-Target Pair