BDBM50336203 12-Mercaptododecyl-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranoside::CHEMBL1669631

SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1OCCCCCCCCCCCCS

InChI Key: InChIKey=IRUGNGIDNXATAJ-AGTZLAJMSA-N

Data: 8 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 8 hits for monomerid = 50336203   

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-4 (Homo sapiens (Human))	BDBM50336203 (12-Mercaptododecyl-beta-D-galactopyranosyl-(1->4)-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1OCCCCCCCCCCCCS |r| Show InChI InChI=1S/C26H49NO11S/c1-16(30)27-19-21(32)24(38-26-23(34)22(33)20(31)17(14-28)36-26)18(15-29)37-25(19)35-12-10-8-6-4-2-3-5-7-9-11-13-39/h17-26,28-29,31-34,39H,2-15H2,1H3,(H,27,30)/t17-,18-,19-,20+,21-,22+,23-,24-,25+,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Binding affinity to human galectin-4 component 1 by surface plasmon resonance method				Bioorg Med Chem Lett 21: 1265-9 (2011) Article DOI: 10.1016/j.bmcl.2010.12.049 BindingDB Entry DOI: 10.7270/Q29G5N3B
					More data for this Ligand-Target Pair
Galectin-8 (Homo sapiens (Human))	BDBM50336203 (12-Mercaptododecyl-beta-D-galactopyranosyl-(1->4)-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1OCCCCCCCCCCCCS |r| Show InChI InChI=1S/C26H49NO11S/c1-16(30)27-19-21(32)24(38-26-23(34)22(33)20(31)17(14-28)36-26)18(15-29)37-25(19)35-12-10-8-6-4-2-3-5-7-9-11-13-39/h17-26,28-29,31-34,39H,2-15H2,1H3,(H,27,30)/t17-,18-,19-,20+,21-,22+,23-,24-,25+,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Binding affinity to human galectin-8 component 1 by surface plasmon resonance method				Bioorg Med Chem Lett 21: 1265-9 (2011) Article DOI: 10.1016/j.bmcl.2010.12.049 BindingDB Entry DOI: 10.7270/Q29G5N3B
					More data for this Ligand-Target Pair
Galectin-4 (Homo sapiens (Human))	BDBM50336203 (12-Mercaptododecyl-beta-D-galactopyranosyl-(1->4)-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1OCCCCCCCCCCCCS |r| Show InChI InChI=1S/C26H49NO11S/c1-16(30)27-19-21(32)24(38-26-23(34)22(33)20(31)17(14-28)36-26)18(15-29)37-25(19)35-12-10-8-6-4-2-3-5-7-9-11-13-39/h17-26,28-29,31-34,39H,2-15H2,1H3,(H,27,30)/t17-,18-,19-,20+,21-,22+,23-,24-,25+,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Binding affinity to human galectin-4 component 2 by surface plasmon resonance method				Bioorg Med Chem Lett 21: 1265-9 (2011) Article DOI: 10.1016/j.bmcl.2010.12.049 BindingDB Entry DOI: 10.7270/Q29G5N3B
					More data for this Ligand-Target Pair
Galectin-4 (Homo sapiens (Human))	BDBM50336203 (12-Mercaptododecyl-beta-D-galactopyranosyl-(1->4)-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1OCCCCCCCCCCCCS |r| Show InChI InChI=1S/C26H49NO11S/c1-16(30)27-19-21(32)24(38-26-23(34)22(33)20(31)17(14-28)36-26)18(15-29)37-25(19)35-12-10-8-6-4-2-3-5-7-9-11-13-39/h17-26,28-29,31-34,39H,2-15H2,1H3,(H,27,30)/t17-,18-,19-,20+,21-,22+,23-,24-,25+,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Binding affinity to human galectin-4 component 1 by surface plasmon resonance method				Bioorg Med Chem Lett 21: 1265-9 (2011) Article DOI: 10.1016/j.bmcl.2010.12.049 BindingDB Entry DOI: 10.7270/Q29G5N3B
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50336203 (12-Mercaptododecyl-beta-D-galactopyranosyl-(1->4)-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1OCCCCCCCCCCCCS |r| Show InChI InChI=1S/C26H49NO11S/c1-16(30)27-19-21(32)24(38-26-23(34)22(33)20(31)17(14-28)36-26)18(15-29)37-25(19)35-12-10-8-6-4-2-3-5-7-9-11-13-39/h17-26,28-29,31-34,39H,2-15H2,1H3,(H,27,30)/t17-,18-,19-,20+,21-,22+,23-,24-,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Binding affinity to human galectin-3 by surface plasmon resonance method				Bioorg Med Chem Lett 21: 1265-9 (2011) Article DOI: 10.1016/j.bmcl.2010.12.049 BindingDB Entry DOI: 10.7270/Q29G5N3B
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50336203 (12-Mercaptododecyl-beta-D-galactopyranosyl-(1->4)-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1OCCCCCCCCCCCCS |r| Show InChI InChI=1S/C26H49NO11S/c1-16(30)27-19-21(32)24(38-26-23(34)22(33)20(31)17(14-28)36-26)18(15-29)37-25(19)35-12-10-8-6-4-2-3-5-7-9-11-13-39/h17-26,28-29,31-34,39H,2-15H2,1H3,(H,27,30)/t17-,18-,19-,20+,21-,22+,23-,24-,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Binding affinity to human galectin-3 by surface plasmon resonance method				Bioorg Med Chem Lett 21: 1265-9 (2011) Article DOI: 10.1016/j.bmcl.2010.12.049 BindingDB Entry DOI: 10.7270/Q29G5N3B
					More data for this Ligand-Target Pair
Galectin-8 (Homo sapiens (Human))	BDBM50336203 (12-Mercaptododecyl-beta-D-galactopyranosyl-(1->4)-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1OCCCCCCCCCCCCS |r| Show InChI InChI=1S/C26H49NO11S/c1-16(30)27-19-21(32)24(38-26-23(34)22(33)20(31)17(14-28)36-26)18(15-29)37-25(19)35-12-10-8-6-4-2-3-5-7-9-11-13-39/h17-26,28-29,31-34,39H,2-15H2,1H3,(H,27,30)/t17-,18-,19-,20+,21-,22+,23-,24-,25+,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Binding affinity to human galectin-8 component 1 by surface plasmon resonance method				Bioorg Med Chem Lett 21: 1265-9 (2011) Article DOI: 10.1016/j.bmcl.2010.12.049 BindingDB Entry DOI: 10.7270/Q29G5N3B
					More data for this Ligand-Target Pair
Galectin-8 (Homo sapiens (Human))	BDBM50336203 (12-Mercaptododecyl-beta-D-galactopyranosyl-(1->4)-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1OCCCCCCCCCCCCS |r| Show InChI InChI=1S/C26H49NO11S/c1-16(30)27-19-21(32)24(38-26-23(34)22(33)20(31)17(14-28)36-26)18(15-29)37-25(19)35-12-10-8-6-4-2-3-5-7-9-11-13-39/h17-26,28-29,31-34,39H,2-15H2,1H3,(H,27,30)/t17-,18-,19-,20+,21-,22+,23-,24-,25+,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology (AIST) Curated by ChEMBL					Assay Description Binding affinity to human galectin-8 component 2 by surface plasmon resonance method				Bioorg Med Chem Lett 21: 1265-9 (2011) Article DOI: 10.1016/j.bmcl.2010.12.049 BindingDB Entry DOI: 10.7270/Q29G5N3B
					More data for this Ligand-Target Pair