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BDBM50265234 24-[({4-[4-({2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}methyl)phenoxy]butyl}(ethyl)carbamoyl)methyl]-5,5,27,27-tetramethyl-16-oxa-12,20-diazaheptacyclo[15.11.0.0^{3,15}.0^{4,12}.0^{6,11}.0^{20,28}.0^{21,26}]octacosa-1(28),2,4(12),6(11),7,9,21(26),22,24-nonaen-12-ylium-8-sulfonate::CHEMBL452214

SMILES: CCN(CCCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)Cc1ccc2N3CCC4OC5CC[N+]6=C(C5=CC4=C3C(C)(C)c2c1)C(C)(C)c1cc(ccc61)S([O-])(=O)=O

InChI Key: InChIKey=DWIBZGDHWPYABQ-SMHYUYHCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50265234   
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))		BDBM50265234
PNG
(24-[({4-[4-({2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-tr...)
Show SMILES CCN(CCCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)Cc1ccc2N3CCC4OC5CC[N+]6=C(C5=CC4=C3C(C)(C)c2c1)C(C)(C)c1cc(ccc61)S([O-])(=O)=O |r,c:51,54,57|
Show InChI InChI=1S/C56H64ClN3O11S/c1-6-58(21-7-8-24-69-36-13-9-32(10-14-36)25-35-28-34(12-16-42(35)57)52-51(65)50(64)49(63)47(31-61)71-52)48(62)27-33-11-17-43-40(26-33)55(2,3)53-38-30-39-46(70-45(38)19-22-59(43)53)20-23-60-44-18-15-37(72(66,67)68)29-41(44)56(4,5)54(39)60/h9-18,26,28-30,45-47,49-52,61,63-65H,6-8,19-25,27,31H2,1-5H3/t45?,46?,47-,49-,50+,51-,52+/m1/s1
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n/an/a 131n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay

Bioorg Med Chem Lett 18: 4944-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.036
BindingDB Entry DOI: 10.7270/Q27944J7
More data for this
Ligand-Target Pair