Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Galectin-3' and Ligand = 'BDBM468290'   

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))	BDBM468290 (3-{4-[(Butylamino)carbonyl]-1H-1,2,3-triazol-1-yl}...) Show SMILES CCCCNC(=O)c1cn(nn1)C1C(O)[C@@H](CO)OC(S[C@@H]2OC(CO)[C@H](O)[C@@H](C2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@@H]1O |r| Show InChI InChI=1S/C27H34F3N7O9S/c1-2-3-4-31-25(44)15-8-37(35-33-15)20-22(41)17(10-39)46-27(24(20)43)47-26-23(42)19(21(40)16(9-38)45-26)36-7-14(32-34-36)11-5-12(28)18(30)13(29)6-11/h5-8,16-17,19-24,26-27,38-43H,2-4,9-10H2,1H3,(H,31,44)/t16?,17-,19+,20?,21+,22?,23?,24-,26+,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The affinity of compounds S8a-c, S11, S16, S20a-b and S21 for galectins were determined by a fluorescence anisotropy assay where the compound was use...				US Patent US10800804 (2020) BindingDB Entry DOI: 10.7270/Q2H70JWZ
					More data for this Ligand-Target Pair