BDBM50326598 CHEMBL1253745::Di-(3-deoxy-3-(4-((2-methoxyethylamino)carbonyl)-1H-1,2,3-triazol-1-yl)-beta-D-galactopyranosyl)sulfane

SMILES: COCCNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)C(=O)NCCOC)[C@@H]1O

InChI Key: InChIKey=IGZMVQIQMLJKRT-XHUDOCLYSA-N

Data: 4 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 4 hits for monomerid = 50326598   

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-7 (Homo sapiens (Human))	BDBM50326598 (CHEMBL1253745 | Di-(3-deoxy-3-(4-((2-methoxyethyla...) Show SMILES COCCNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)C(=O)NCCOC)[C@@H]1O |r| Show InChI InChI=1S/C24H38N8O12S/c1-41-5-3-25-21(39)11-7-31(29-27-11)15-17(35)13(9-33)43-23(19(15)37)45-24-20(38)16(18(36)14(10-34)44-24)32-8-12(28-30-32)22(40)26-4-6-42-2/h7-8,13-20,23-24,33-38H,3-6,9-10H2,1-2H3,(H,25,39)(H,26,40)/t13-,14-,15+,16+,17+,18+,19-,20-,23+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.70E+3	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-3 (Homo sapiens (Human))	BDBM50326598 (CHEMBL1253745 | Di-(3-deoxy-3-(4-((2-methoxyethyla...) Show SMILES COCCNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)C(=O)NCCOC)[C@@H]1O |r| Show InChI InChI=1S/C24H38N8O12S/c1-41-5-3-25-21(39)11-7-31(29-27-11)15-17(35)13(9-33)43-23(19(15)37)45-24-20(38)16(18(36)14(10-34)44-24)32-8-12(28-30-32)22(40)26-4-6-42-2/h7-8,13-20,23-24,33-38H,3-6,9-10H2,1-2H3,(H,25,39)(H,26,40)/t13-,14-,15+,16+,17+,18+,19-,20-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	250	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-9 (Homo sapiens (Human))	BDBM50326598 (CHEMBL1253745 | Di-(3-deoxy-3-(4-((2-methoxyethyla...) Show SMILES COCCNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)C(=O)NCCOC)[C@@H]1O |r| Show InChI InChI=1S/C24H38N8O12S/c1-41-5-3-25-21(39)11-7-31(29-27-11)15-17(35)13(9-33)43-23(19(15)37)45-24-20(38)16(18(36)14(10-34)44-24)32-8-12(28-30-32)22(40)26-4-6-42-2/h7-8,13-20,23-24,33-38H,3-6,9-10H2,1-2H3,(H,25,39)(H,26,40)/t13-,14-,15+,16+,17+,18+,19-,20-,23+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.30E+3	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-8 (Homo sapiens (Human))	BDBM50326598 (CHEMBL1253745 | Di-(3-deoxy-3-(4-((2-methoxyethyla...) Show SMILES COCCNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)C(=O)NCCOC)[C@@H]1O |r| Show InChI InChI=1S/C24H38N8O12S/c1-41-5-3-25-21(39)11-7-31(29-27-11)15-17(35)13(9-33)43-23(19(15)37)45-24-20(38)16(18(36)14(10-34)44-24)32-8-12(28-30-32)22(40)26-4-6-42-2/h7-8,13-20,23-24,33-38H,3-6,9-10H2,1-2H3,(H,25,39)(H,26,40)/t13-,14-,15+,16+,17+,18+,19-,20-,23+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.00E+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