BDBM50272150 CHEMBL500137::N-benzyl-1-((2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(methylthio)-tetrahydro-2H-pyran-4-yl)-1H-1,2,3-triazole-4-carboxamide

SMILES: CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)C(=O)NCc1ccccc1

InChI Key: InChIKey=XOPJQNRJGIFUQS-HNLJFRNMSA-N

Data: 9 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 9 hits for monomerid = 50272150   

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-3 (Homo sapiens (Human))	BDBM50272150 (CHEMBL500137 | N-benzyl-1-((2R,3R,4S,5R,6S)-3,5-di...) Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C17H22N4O5S/c1-27-17-15(24)13(14(23)12(9-22)26-17)21-8-11(19-20-21)16(25)18-7-10-5-3-2-4-6-10/h2-6,8,12-15,17,22-24H,7,9H2,1H3,(H,18,25)/t12-,13+,14+,15-,17+/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	1.50E+5	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Antagonist activity against human galectin 3 by fluorescence polarization assay				Bioorg Med Chem Lett 24: 3516-20 (2014) Article DOI: 10.1016/j.bmcl.2014.05.063 BindingDB Entry DOI: 10.7270/Q2PC341V
					More data for this Ligand-Target Pair
Galectin-7 (Homo sapiens (Human))	BDBM50272150 (CHEMBL500137 | N-benzyl-1-((2R,3R,4S,5R,6S)-3,5-di...) Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C17H22N4O5S/c1-27-17-15(24)13(14(23)12(9-22)26-17)21-8-11(19-20-21)16(25)18-7-10-5-3-2-4-6-10/h2-6,8,12-15,17,22-24H,7,9H2,1H3,(H,18,25)/t12-,13+,14+,15-,17+/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	2.10E+6	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Antagonist activity against human galectin 7 by fluorescence polarization assay				Bioorg Med Chem Lett 24: 3516-20 (2014) Article DOI: 10.1016/j.bmcl.2014.05.063 BindingDB Entry DOI: 10.7270/Q2PC341V
					More data for this Ligand-Target Pair
Galectin-8 (Homo sapiens (Human))	BDBM50272150 (CHEMBL500137 | N-benzyl-1-((2R,3R,4S,5R,6S)-3,5-di...) Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C17H22N4O5S/c1-27-17-15(24)13(14(23)12(9-22)26-17)21-8-11(19-20-21)16(25)18-7-10-5-3-2-4-6-10/h2-6,8,12-15,17,22-24H,7,9H2,1H3,(H,18,25)/t12-,13+,14+,15-,17+/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	>5.00E+6	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Antagonist activity against human galectin 8 N-terminal domain by fluorescence polarization assay				Bioorg Med Chem Lett 24: 3516-20 (2014) Article DOI: 10.1016/j.bmcl.2014.05.063 BindingDB Entry DOI: 10.7270/Q2PC341V
					More data for this Ligand-Target Pair
Galectin-9 (Homo sapiens (Human))	BDBM50272150 (CHEMBL500137 | N-benzyl-1-((2R,3R,4S,5R,6S)-3,5-di...) Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C17H22N4O5S/c1-27-17-15(24)13(14(23)12(9-22)26-17)21-8-11(19-20-21)16(25)18-7-10-5-3-2-4-6-10/h2-6,8,12-15,17,22-24H,7,9H2,1H3,(H,18,25)/t12-,13+,14+,15-,17+/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	>5.00E+6	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Antagonist activity against human galectin 9 N-terminal domain by fluorescence polarization assay				Bioorg Med Chem Lett 24: 3516-20 (2014) Article DOI: 10.1016/j.bmcl.2014.05.063 BindingDB Entry DOI: 10.7270/Q2PC341V
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50272150 (CHEMBL500137 | N-benzyl-1-((2R,3R,4S,5R,6S)-3,5-di...) Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C17H22N4O5S/c1-27-17-15(24)13(14(23)12(9-22)26-17)21-8-11(19-20-21)16(25)18-7-10-5-3-2-4-6-10/h2-6,8,12-15,17,22-24H,7,9H2,1H3,(H,18,25)/t12-,13+,14+,15-,17+/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	1.50E+5	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-7 (Homo sapiens (Human))	BDBM50272150 (CHEMBL500137 | N-benzyl-1-((2R,3R,4S,5R,6S)-3,5-di...) Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C17H22N4O5S/c1-27-17-15(24)13(14(23)12(9-22)26-17)21-8-11(19-20-21)16(25)18-7-10-5-3-2-4-6-10/h2-6,8,12-15,17,22-24H,7,9H2,1H3,(H,18,25)/t12-,13+,14+,15-,17+/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	2.10E+6	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-8 (Homo sapiens (Human))	BDBM50272150 (CHEMBL500137 | N-benzyl-1-((2R,3R,4S,5R,6S)-3,5-di...) Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C17H22N4O5S/c1-27-17-15(24)13(14(23)12(9-22)26-17)21-8-11(19-20-21)16(25)18-7-10-5-3-2-4-6-10/h2-6,8,12-15,17,22-24H,7,9H2,1H3,(H,18,25)/t12-,13+,14+,15-,17+/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	>5.00E+6	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
Galectin-9 (Homo sapiens (Human))	BDBM50272150 (CHEMBL500137 | N-benzyl-1-((2R,3R,4S,5R,6S)-3,5-di...) Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C17H22N4O5S/c1-27-17-15(24)13(14(23)12(9-22)26-17)21-8-11(19-20-21)16(25)18-7-10-5-3-2-4-6-10/h2-6,8,12-15,17,22-24H,7,9H2,1H3,(H,18,25)/t12-,13+,14+,15-,17+/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	5.40E+5	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-3 (Homo sapiens (Human))	BDBM50272150 (CHEMBL500137 | N-benzyl-1-((2R,3R,4S,5R,6S)-3,5-di...) Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C17H22N4O5S/c1-27-17-15(24)13(14(23)12(9-22)26-17)21-8-11(19-20-21)16(25)18-7-10-5-3-2-4-6-10/h2-6,8,12-15,17,22-24H,7,9H2,1H3,(H,18,25)/t12-,13+,14+,15-,17+/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	1.10E+5	n/a	n/a	n/a	n/a	n/a
Universit£ du Qu£bec£ Montr£al Curated by ChEMBL					Assay Description Binding affinity to galectin 3				Bioorg Med Chem 16: 7811-23 (2008) Article DOI: 10.1016/j.bmc.2008.06.044 BindingDB Entry DOI: 10.7270/Q2HQ40TS
					More data for this Ligand-Target Pair