BDBM50077225 (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]thio}tetrahydro-2H-pyran-3,4,5-triol::CHEMBL52011::THIODIGALACTOSIDE

SMILES: OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=SYKYBMOFPMXDRQ-ZFDCCPEWSA-N

Data: 11 Kd

PDB links: 7 PDB IDs match this monomer.

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 11 hits for monomerid = 50077225   

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-3 (Homo sapiens (Human))	BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	4.30E+4	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				3D Structure (crystal)
Galectin-1 (Homo sapiens (Human))	BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	2.40E+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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Galectin-1 (Homo sapiens (Human))	BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	7.80E+4	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Binding affinity to galectin 1 at 20 degC by fluorescence polarization assay				J Med Chem 51: 8109-14 (2008) Article DOI: 10.1021/jm801077j BindingDB Entry DOI: 10.7270/Q29W0GDJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Galectin-3 (Homo sapiens (Human))	BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Binding affinity to galectin 3 at 20 degC by fluorescence polarization assay				J Med Chem 51: 8109-14 (2008) Article DOI: 10.1021/jm801077j BindingDB Entry DOI: 10.7270/Q29W0GDJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Galectin-8 (Homo sapiens (Human))	BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Binding affinity to galectin 8N terminal domain at 20 degC by fluorescence polarization assay				J Med Chem 51: 8109-14 (2008) Article DOI: 10.1021/jm801077j BindingDB Entry DOI: 10.7270/Q29W0GDJ
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a
The Hashemite University Curated by ChEMBL					Assay Description Binding affinity to human galectin 3 at 20 degC by competitive fluorescence polarization assay				Bioorg Med Chem 18: 5367-78 (2010) Article DOI: 10.1016/j.bmc.2010.05.040 BindingDB Entry DOI: 10.7270/Q2FQ9XMJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Galectin-7 (Homo sapiens (Human))	BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Binding affinity to galectin 7 at 0 degC by fluorescence polarization assay				J Med Chem 51: 8109-14 (2008) Article DOI: 10.1021/jm801077j BindingDB Entry DOI: 10.7270/Q29W0GDJ
					More data for this Ligand-Target Pair
Galectin-7 (Homo sapiens (Human))	BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a
The Hashemite University Curated by ChEMBL					Assay Description Binding affinity to human galectin 7 at 4 degC by competitive fluorescence polarization assay				Bioorg Med Chem 18: 5367-78 (2010) Article DOI: 10.1016/j.bmc.2010.05.040 BindingDB Entry DOI: 10.7270/Q2FQ9XMJ
					More data for this Ligand-Target Pair
Galectin-8 (Homo sapiens (Human))	BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a
The Hashemite University Curated by ChEMBL					Assay Description Binding affinity to human galectin 8 N-terminal domain at 20 degC by competitive fluorescence polarization assay				Bioorg Med Chem 18: 5367-78 (2010) Article DOI: 10.1016/j.bmc.2010.05.040 BindingDB Entry DOI: 10.7270/Q2FQ9XMJ
					More data for this Ligand-Target Pair
Galectin-9 (Homo sapiens (Human))	BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a
The Hashemite University Curated by ChEMBL					Assay Description Binding affinity to human galectin 9 N-terminal domain at 20 degC by competitive fluorescence polarization assay				Bioorg Med Chem 18: 5367-78 (2010) Article DOI: 10.1016/j.bmc.2010.05.040 BindingDB Entry DOI: 10.7270/Q2FQ9XMJ
					More data for this Ligand-Target Pair
Galectin-9 (Homo sapiens (Human))	BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Binding affinity to galectin 9N terminal domain at 0 degC by fluorescence polarization assay				J Med Chem 51: 8109-14 (2008) Article DOI: 10.1021/jm801077j BindingDB Entry DOI: 10.7270/Q29W0GDJ
					More data for this Ligand-Target Pair