BDBM50048094 CHEMBL3311522

SMILES: CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3o\c2=N/S(=O)(=O)c2ccc(C)cc2)[C@H]1O

InChI Key: InChIKey=DORDHSTVQLZMAV-UJOPRZABSA-N

Data: 5 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 5 hits for monomerid = 50048094   

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))	BDBM50048094 (CHEMBL3311522) Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3o\c2=N/S(=O)(=O)c2ccc(C)cc2)[C@H]1O |r| Show InChI InChI=1S/C24H27NO9S/c1-14-7-9-17(10-8-14)35(29,30)25-23-16(11-15-5-3-4-6-18(15)33-23)13-32-22-20(27)19(12-26)34-24(31-2)21(22)28/h3-11,19-22,24,26-28H,12-13H2,1-2H3/b25-23-/t19-,20+,21-,22+,24+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.70E+6	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Antagonist activity against human galectin 1 by fluorescence polarization assay				Bioorg Med Chem Lett 24: 3516-20 (2014) Article DOI: 10.1016/j.bmcl.2014.05.063 BindingDB Entry DOI: 10.7270/Q2PC341V
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50048094 (CHEMBL3311522) Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3o\c2=N/S(=O)(=O)c2ccc(C)cc2)[C@H]1O |r| Show InChI InChI=1S/C24H27NO9S/c1-14-7-9-17(10-8-14)35(29,30)25-23-16(11-15-5-3-4-6-18(15)33-23)13-32-22-20(27)19(12-26)34-24(31-2)21(22)28/h3-11,19-22,24,26-28H,12-13H2,1-2H3/b25-23-/t19-,20+,21-,22+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Antagonist activity against human galectin 3 by fluorescence polarization assay				Bioorg Med Chem Lett 24: 3516-20 (2014) Article DOI: 10.1016/j.bmcl.2014.05.063 BindingDB Entry DOI: 10.7270/Q2PC341V
					More data for this Ligand-Target Pair
Galectin-9 (Homo sapiens (Human))	BDBM50048094 (CHEMBL3311522) Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3o\c2=N/S(=O)(=O)c2ccc(C)cc2)[C@H]1O |r| Show InChI InChI=1S/C24H27NO9S/c1-14-7-9-17(10-8-14)35(29,30)25-23-16(11-15-5-3-4-6-18(15)33-23)13-32-22-20(27)19(12-26)34-24(31-2)21(22)28/h3-11,19-22,24,26-28H,12-13H2,1-2H3/b25-23-/t19-,20+,21-,22+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Antagonist activity against human galectin 9 N-terminal domain by fluorescence polarization assay				Bioorg Med Chem Lett 24: 3516-20 (2014) Article DOI: 10.1016/j.bmcl.2014.05.063 BindingDB Entry DOI: 10.7270/Q2PC341V
					More data for this Ligand-Target Pair
Galectin-8 (Homo sapiens (Human))	BDBM50048094 (CHEMBL3311522) Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3o\c2=N/S(=O)(=O)c2ccc(C)cc2)[C@H]1O |r| Show InChI InChI=1S/C24H27NO9S/c1-14-7-9-17(10-8-14)35(29,30)25-23-16(11-15-5-3-4-6-18(15)33-23)13-32-22-20(27)19(12-26)34-24(31-2)21(22)28/h3-11,19-22,24,26-28H,12-13H2,1-2H3/b25-23-/t19-,20+,21-,22+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Antagonist activity against human galectin 8 N-terminal domain by fluorescence polarization assay				Bioorg Med Chem Lett 24: 3516-20 (2014) Article DOI: 10.1016/j.bmcl.2014.05.063 BindingDB Entry DOI: 10.7270/Q2PC341V
					More data for this Ligand-Target Pair
Galectin-7 (Homo sapiens (Human))	BDBM50048094 (CHEMBL3311522) Show SMILES CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3o\c2=N/S(=O)(=O)c2ccc(C)cc2)[C@H]1O |r| Show InChI InChI=1S/C24H27NO9S/c1-14-7-9-17(10-8-14)35(29,30)25-23-16(11-15-5-3-4-6-18(15)33-23)13-32-22-20(27)19(12-26)34-24(31-2)21(22)28/h3-11,19-22,24,26-28H,12-13H2,1-2H3/b25-23-/t19-,20+,21-,22+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.70E+6	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Antagonist activity against human galectin 7 by fluorescence polarization assay				Bioorg Med Chem Lett 24: 3516-20 (2014) Article DOI: 10.1016/j.bmcl.2014.05.063 BindingDB Entry DOI: 10.7270/Q2PC341V
					More data for this Ligand-Target Pair