BDBM50425517 CHEMBL2313337

SMILES: OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCCN=[N+]=[N-])[C@@H]([C@H]2O)N2C(=O)c3ccccc3C2=O)[C@H](O)[C@@H](OCc2ccc(Oc3ccccc3)cc2)[C@H]1O

InChI Key: InChIKey=WMKQBCBZKSFTKY-IUKAKSITSA-N

Data: 2 Kd

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 2 hits for monomerid = 50425517   

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
Galectin-1 (Homo sapiens (Human))	BDBM50425517 (CHEMBL2313337) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCCN=[N+]=[N-])[C@@H]([C@H]2O)N2C(=O)c3ccccc3C2=O)[C@H](O)[C@@H](OCc2ccc(Oc3ccccc3)cc2)[C@H]1O |r| Show InChI InChI=1S/C36H40N4O13/c37-39-38-15-6-16-48-35-27(40-33(46)23-9-4-5-10-24(23)34(40)47)29(44)31(26(18-42)52-35)53-36-30(45)32(28(43)25(17-41)51-36)49-19-20-11-13-22(14-12-20)50-21-7-2-1-3-8-21/h1-5,7-14,25-32,35-36,41-45H,6,15-19H2/t25-,26-,27-,28+,29-,30-,31-,32+,35-,36+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.80E+5	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
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50425517 (CHEMBL2313337) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCCN=[N+]=[N-])[C@@H]([C@H]2O)N2C(=O)c3ccccc3C2=O)[C@H](O)[C@@H](OCc2ccc(Oc3ccccc3)cc2)[C@H]1O |r| Show InChI InChI=1S/C36H40N4O13/c37-39-38-15-6-16-48-35-27(40-33(46)23-9-4-5-10-24(23)34(40)47)29(44)31(26(18-42)52-35)53-36-30(45)32(28(43)25(17-41)51-36)49-19-20-11-13-22(14-12-20)50-21-7-2-1-3-8-21/h1-5,7-14,25-32,35-36,41-45H,6,15-19H2/t25-,26-,27-,28+,29-,30-,31-,32+,35-,36+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Binding affinity to galectin-3 (unknown origin) by fluorescence polarization assay				J Med Chem 56: 1350-4 (2013) Article DOI: 10.1021/jm301677r BindingDB Entry DOI: 10.7270/Q2NK3GBS
					More data for this Ligand-Target Pair