BDBM50326595 CHEMBL1253726::Di-(3-deoxy-3-(4-((2-phenylethylamino)carbonyl)-1H-1,2,3-triazol-1-yl)-beta-D-galactopyranosyl)sulfane

SMILES: OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)C(=O)NCCc2ccccc2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)C(=O)NCCc1ccccc1

InChI Key: InChIKey=MBIPYJDZEIXYNV-SCODVAETSA-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 = 50326595   

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))	BDBM50326595 (CHEMBL1253726 | Di-(3-deoxy-3-(4-((2-phenylethylam...) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)C(=O)NCCc2ccccc2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C34H42N8O10S/c43-17-23-27(45)25(41-15-21(37-39-41)31(49)35-13-11-19-7-3-1-4-8-19)29(47)33(51-23)53-34-30(48)26(28(46)24(18-44)52-34)42-16-22(38-40-42)32(50)36-14-12-20-9-5-2-6-10-20/h1-10,15-16,23-30,33-34,43-48H,11-14,17-18H2,(H,35,49)(H,36,50)/t23-,24-,25+,26+,27+,28+,29-,30-,33+,34+/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	2.00E+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))	BDBM50326595 (CHEMBL1253726 | Di-(3-deoxy-3-(4-((2-phenylethylam...) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)C(=O)NCCc2ccccc2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C34H42N8O10S/c43-17-23-27(45)25(41-15-21(37-39-41)31(49)35-13-11-19-7-3-1-4-8-19)29(47)33(51-23)53-34-30(48)26(28(46)24(18-44)52-34)42-16-22(38-40-42)32(50)36-14-12-20-9-5-2-6-10-20/h1-10,15-16,23-30,33-34,43-48H,11-14,17-18H2,(H,35,49)(H,36,50)/t23-,24-,25+,26+,27+,28+,29-,30-,33+,34+/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	150	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))	BDBM50326595 (CHEMBL1253726 | Di-(3-deoxy-3-(4-((2-phenylethylam...) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)C(=O)NCCc2ccccc2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C34H42N8O10S/c43-17-23-27(45)25(41-15-21(37-39-41)31(49)35-13-11-19-7-3-1-4-8-19)29(47)33(51-23)53-34-30(48)26(28(46)24(18-44)52-34)42-16-22(38-40-42)32(50)36-14-12-20-9-5-2-6-10-20/h1-10,15-16,23-30,33-34,43-48H,11-14,17-18H2,(H,35,49)(H,36,50)/t23-,24-,25+,26+,27+,28+,29-,30-,33+,34+/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	1.10E+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))	BDBM50326595 (CHEMBL1253726 | Di-(3-deoxy-3-(4-((2-phenylethylam...) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)C(=O)NCCc2ccccc2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C34H42N8O10S/c43-17-23-27(45)25(41-15-21(37-39-41)31(49)35-13-11-19-7-3-1-4-8-19)29(47)33(51-23)53-34-30(48)26(28(46)24(18-44)52-34)42-16-22(38-40-42)32(50)36-14-12-20-9-5-2-6-10-20/h1-10,15-16,23-30,33-34,43-48H,11-14,17-18H2,(H,35,49)(H,36,50)/t23-,24-,25+,26+,27+,28+,29-,30-,33+,34+/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	2.00E+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