BDBM21525 N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-{[(2-hydroxyethyl)carbamothioyl]amino}-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide::Thioureido N-acetyllactosamine derivative, 9

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

InChI Key: InChIKey=VXMWQYSLSTZTPY-JBDWKLEJSA-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 = 21525   

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))	BDBM21525 (N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCCO)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C18H33N3O11S/c1-7(25)20-11-13(27)15(9(6-24)31-16(11)29-2)32-17-14(28)10(12(26)8(5-23)30-17)21-18(33)19-3-4-22/h8-17,22-24,26-28H,3-6H2,1-2H3,(H,20,25)(H2,19,21,33)/t8-,9-,10+,11-,12+,13-,14-,15-,16-,17+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.90E+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))	BDBM21525 (N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCCO)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C18H33N3O11S/c1-7(25)20-11-13(27)15(9(6-24)31-16(11)29-2)32-17-14(28)10(12(26)8(5-23)30-17)21-18(33)19-3-4-22/h8-17,22-24,26-28H,3-6H2,1-2H3,(H,20,25)(H2,19,21,33)/t8-,9-,10+,11-,12+,13-,14-,15-,16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.40E+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-9 (Homo sapiens (Human))	BDBM21525 (N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCCO)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C18H33N3O11S/c1-7(25)20-11-13(27)15(9(6-24)31-16(11)29-2)32-17-14(28)10(12(26)8(5-23)30-17)21-18(33)19-3-4-22/h8-17,22-24,26-28H,3-6H2,1-2H3,(H,20,25)(H2,19,21,33)/t8-,9-,10+,11-,12+,13-,14-,15-,16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20E+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))	BDBM21525 (N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCCO)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C18H33N3O11S/c1-7(25)20-11-13(27)15(9(6-24)31-16(11)29-2)32-17-14(28)10(12(26)8(5-23)30-17)21-18(33)19-3-4-22/h8-17,22-24,26-28H,3-6H2,1-2H3,(H,20,25)(H2,19,21,33)/t8-,9-,10+,11-,12+,13-,14-,15-,16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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-7 (Homo sapiens (Human))	BDBM21525 (N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCCO)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C18H33N3O11S/c1-7(25)20-11-13(27)15(9(6-24)31-16(11)29-2)32-17-14(28)10(12(26)8(5-23)30-17)21-18(33)19-3-4-22/h8-17,22-24,26-28H,3-6H2,1-2H3,(H,20,25)(H2,19,21,33)/t8-,9-,10+,11-,12+,13-,14-,15-,16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30E+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