BDBM50265219 5-(5-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)benzyl)phenoxy)pentanoyl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid::CHEMBL449778

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCCCC(=O)c3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc2)c1

InChI Key: InChIKey=VBOMFWRCHBJIJN-FAKFVTDTSA-N

Data: 1 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 1 hit for monomerid = 50265219   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50265219 (5-(5-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trihyd...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCCCC(=O)c3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc2)c1 |r,wU:2.1,7.7,4.11,wD:5.5,9.10,(-7.73,-4.49,;-6.4,-3.72,;-5.06,-4.48,;-3.73,-3.71,;-2.4,-4.48,;-2.4,-6.03,;-1.07,-6.8,;-3.73,-6.79,;-3.73,-8.33,;-5.06,-6.03,;-6.39,-6.8,;-1.06,-3.72,;-1.06,-2.18,;.28,-1.4,;1.61,-2.18,;2.95,-1.41,;1.61,-3.72,;2.95,-4.49,;4.29,-3.73,;5.6,-4.51,;6.93,-3.76,;6.94,-2.24,;8.28,-1.48,;9.61,-2.26,;10.95,-1.5,;12.28,-2.28,;13.62,-1.52,;14.95,-2.31,;14.97,-3.85,;16.28,-1.53,;16.26,.01,;17.59,.79,;18.93,.03,;18.94,-1.52,;17.61,-2.29,;19.7,-2.86,;18.91,-4.18,;21.24,-2.87,;20.26,.81,;20.25,2.35,;18.92,3.1,;18.9,4.63,;20.22,5.41,;20.21,6.95,;21.55,4.65,;21.56,3.13,;22.91,2.38,;22.92,.83,;24.26,.08,;24.28,-1.46,;25.62,-2.22,;22.95,-2.26,;21.61,-1.5,;21.59,.05,;5.62,-1.46,;4.3,-2.22,;.27,-4.48,)| Show InChI InChI=1S/C44H39ClO12/c45-34-15-7-25(43-42(52)41(51)40(50)38(22-46)57-43)18-26(34)17-23-4-10-29(11-5-23)55-16-2-1-3-35(49)24-6-12-30(33(19-24)44(53)54)39-31-13-8-27(47)20-36(31)56-37-21-28(48)9-14-32(37)39/h4-15,18-21,38,40-43,46-47,50-52H,1-3,16-17,22H2,(H,53,54)/t38-,40-,41+,42-,43+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	835	n/a	n/a	n/a	n/a	n/a	n/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