BDBM21533 N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide::Thioureido N-acetyllactosamine derivative, 17

SMILES: CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O

InChI Key: InChIKey=PKPZITUQXLANSE-AEBMIEDASA-N

Data: 11 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 11 hits for monomerid = 21533   

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))	BDBM21533 (N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C15H27NO11/c1-5(19)16-8-10(21)13(7(4-18)26-14(8)24-2)27-15-12(23)11(22)9(20)6(3-17)25-15/h6-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.00E+4	n/a	n/a	n/a	7.2	24
Lund University					Assay Description In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...				Bioorg Med Chem 14: 1215-20 (2006) Article DOI: 10.1016/j.bmc.2005.09.050 BindingDB Entry DOI: 10.7270/Q2B856FP
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM21533 (N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C15H27NO11/c1-5(19)16-8-10(21)13(7(4-18)26-14(8)24-2)27-15-12(23)11(22)9(20)6(3-17)25-15/h6-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.70E+4	n/a	n/a	n/a	7.2	24
Lund University					Assay Description In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...				Bioorg Med Chem 14: 1215-20 (2006) Article DOI: 10.1016/j.bmc.2005.09.050 BindingDB Entry DOI: 10.7270/Q2B856FP
					More data for this Ligand-Target Pair
Galectin-7 (Homo sapiens (Human))	BDBM21533 (N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C15H27NO11/c1-5(19)16-8-10(21)13(7(4-18)26-14(8)24-2)27-15-12(23)11(22)9(20)6(3-17)25-15/h6-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.90E+5	n/a	n/a	n/a	n/a	n/a
Lund University					Assay Description In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...				Bioorg Med Chem 14: 1215-20 (2006) Article DOI: 10.1016/j.bmc.2005.09.050 BindingDB Entry DOI: 10.7270/Q2B856FP
					More data for this Ligand-Target Pair
Galectin-8 (Homo sapiens (Human))	BDBM21533 (N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C15H27NO11/c1-5(19)16-8-10(21)13(7(4-18)26-14(8)24-2)27-15-12(23)11(22)9(20)6(3-17)25-15/h6-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.00E+5	n/a	n/a	n/a	n/a	n/a
Lund University					Assay Description In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...				Bioorg Med Chem 14: 1215-20 (2006) Article DOI: 10.1016/j.bmc.2005.09.050 BindingDB Entry DOI: 10.7270/Q2B856FP
					More data for this Ligand-Target Pair
Galectin-9 (Homo sapiens (Human))	BDBM21533 (N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C15H27NO11/c1-5(19)16-8-10(21)13(7(4-18)26-14(8)24-2)27-15-12(23)11(22)9(20)6(3-17)25-15/h6-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a
Lund University					Assay Description In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...				Bioorg Med Chem 14: 1215-20 (2006) Article DOI: 10.1016/j.bmc.2005.09.050 BindingDB Entry DOI: 10.7270/Q2B856FP
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM21533 (N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C15H27NO11/c1-5(19)16-8-10(21)13(7(4-18)26-14(8)24-2)27-15-12(23)11(22)9(20)6(3-17)25-15/h6-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.90E+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
Galectin-1 (Homo sapiens (Human))	BDBM21533 (N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C15H27NO11/c1-5(19)16-8-10(21)13(7(4-18)26-14(8)24-2)27-15-12(23)11(22)9(20)6(3-17)25-15/h6-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.00E+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
Galectin-7 (Homo sapiens (Human))	BDBM21533 (N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C15H27NO11/c1-5(19)16-8-10(21)13(7(4-18)26-14(8)24-2)27-15-12(23)11(22)9(20)6(3-17)25-15/h6-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.50E+6	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))	BDBM21533 (N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C15H27NO11/c1-5(19)16-8-10(21)13(7(4-18)26-14(8)24-2)27-15-12(23)11(22)9(20)6(3-17)25-15/h6-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+6	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))	BDBM21533 (N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C15H27NO11/c1-5(19)16-8-10(21)13(7(4-18)26-14(8)24-2)27-15-12(23)11(22)9(20)6(3-17)25-15/h6-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.90E+5	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-3 (Homo sapiens (Human))	BDBM21533 (N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C15H27NO11/c1-5(19)16-8-10(21)13(7(4-18)26-14(8)24-2)27-15-12(23)11(22)9(20)6(3-17)25-15/h6-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.90E+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