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BDBM50265222 3-(3-((2-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)benzyl)phenoxy)ethyl)(methyl)amino)-3-oxopropyl)-5,5-difluoro-7,9-dimethyl-5H-dipyrrolo[1,2-c:1',2'-f][1,3,2]diazaborinin-4-ium-5-uide::CHEMBL509911

SMILES: CN(CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F

InChI Key: InChIKey=AZRFKMBSNXRCDF-BOYYEFAASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50265222   
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))		BDBM50265222
PNG
(3-(3-((2-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-tr...)
Show SMILES CN(CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:40,42,t:37|
Show InChI InChI=1S/C36H41BClF2N3O7/c1-21-16-22(2)42-30(21)19-27-8-7-26(43(27)37(42,39)40)9-13-32(45)41(3)14-15-49-28-10-4-23(5-11-28)17-25-18-24(6-12-29(25)38)36-35(48)34(47)33(46)31(20-44)50-36/h4-8,10-12,16,18-19,31,33-36,44,46-48H,9,13-15,17,20H2,1-3H3/t31-,33-,34+,35-,36+/m1/s1
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Article
PubMed
n/an/a 315n/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