BDBM21521 N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(methylcarbamothioyl)amino]oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide::Thioureido N-acetyllactosamine derivative, 5

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

InChI Key: InChIKey=BTIMZKJSRGHZTE-OCCNSBCVSA-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 = 21521   

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))	BDBM21521 (N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...) Show SMILES CNC(=S)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](OC)O[C@@H]2CO)[C@@H]1O Show InChI InChI=1S/C17H31N3O10S/c1-6(23)19-10-12(25)14(8(5-22)29-15(10)27-3)30-16-13(26)9(20-17(31)18-2)11(24)7(4-21)28-16/h7-16,21-22,24-26H,4-5H2,1-3H3,(H,19,23)(H2,18,20,31)/t7-,8-,9+,10-,11+,12-,13-,14-,15-,16+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM21521 (N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...) Show SMILES CNC(=S)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](OC)O[C@@H]2CO)[C@@H]1O Show InChI InChI=1S/C17H31N3O10S/c1-6(23)19-10-12(25)14(8(5-22)29-15(10)27-3)30-16-13(26)9(20-17(31)18-2)11(24)7(4-21)28-16/h7-16,21-22,24-26H,4-5H2,1-3H3,(H,19,23)(H2,18,20,31)/t7-,8-,9+,10-,11+,12-,13-,14-,15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.80E+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))	BDBM21521 (N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...) Show SMILES CNC(=S)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](OC)O[C@@H]2CO)[C@@H]1O Show InChI InChI=1S/C17H31N3O10S/c1-6(23)19-10-12(25)14(8(5-22)29-15(10)27-3)30-16-13(26)9(20-17(31)18-2)11(24)7(4-21)28-16/h7-16,21-22,24-26H,4-5H2,1-3H3,(H,19,23)(H2,18,20,31)/t7-,8-,9+,10-,11+,12-,13-,14-,15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.10E+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))	BDBM21521 (N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...) Show SMILES CNC(=S)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](OC)O[C@@H]2CO)[C@@H]1O Show InChI InChI=1S/C17H31N3O10S/c1-6(23)19-10-12(25)14(8(5-22)29-15(10)27-3)30-16-13(26)9(20-17(31)18-2)11(24)7(4-21)28-16/h7-16,21-22,24-26H,4-5H2,1-3H3,(H,19,23)(H2,18,20,31)/t7-,8-,9+,10-,11+,12-,13-,14-,15-,16+/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	>3.00E+6	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))	BDBM21521 (N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...) Show SMILES CNC(=S)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](OC)O[C@@H]2CO)[C@@H]1O Show InChI InChI=1S/C17H31N3O10S/c1-6(23)19-10-12(25)14(8(5-22)29-15(10)27-3)30-16-13(26)9(20-17(31)18-2)11(24)7(4-21)28-16/h7-16,21-22,24-26H,4-5H2,1-3H3,(H,19,23)(H2,18,20,31)/t7-,8-,9+,10-,11+,12-,13-,14-,15-,16+/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	6.50E+4	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