Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Galectin-3' and Ligand = 'BDBM50247474'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Galectin-3 (Homo sapiens (Human))	BDBM50247474 (CHEMBL4086521) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cccc(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(CNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)nn1 |r| Show InChI InChI=1S/C44H40FN7O14S2/c45-21-3-1-2-19(10-21)29-16-52(50-48-29)35-37(58)33(18-54)65-43(39(35)60)68-67-42-38(59)34(36(57)32(17-53)64-42)51-15-22(47-49-51)14-46-40(61)20-4-7-26-25(11-20)41(62)66-44(26)27-8-5-23(55)12-30(27)63-31-13-24(56)6-9-28(31)44/h1-13,15-16,32-39,42-43,53-60H,14,17-18H2,(H,46,61)/t32-,33-,34+,35+,36+,37+,38-,39-,42+,43+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Binding affinity to human galectin-3 expressed in Escherichia coli BL21(DE3) in presence of BSA by direct fluorescence polarization titration assay				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
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