Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Galectin-1' and Ligand = 'BDBM50425518'   

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-1 (Homo sapiens (Human))	BDBM50425518 (CHEMBL2313338) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(Oc3ccccc3)cc2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C40H40N6O10S/c47-21-31-35(49)33(45-19-29(41-43-45)23-11-15-27(16-12-23)53-25-7-3-1-4-8-25)37(51)39(55-31)57-40-38(52)34(36(50)32(22-48)56-40)46-20-30(42-44-46)24-13-17-28(18-14-24)54-26-9-5-2-6-10-26/h1-20,31-40,47-52H,21-22H2/t31-,32-,33+,34+,35+,36+,37-,38-,39+,40+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Binding affinity to galectin-1 (unknown origin) by fluorescence polarization assay				J Med Chem 56: 1350-4 (2013) Article DOI: 10.1021/jm301677r BindingDB Entry DOI: 10.7270/Q2NK3GBS
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