BDBM50326585 CHEMBL1254932::Methyl-3-(4-butylaminocarbonyl-1H-[1,2,3]-triazol-1-yl)-3-deoxy-1-thio-beta-D-galactopyranoside

SMILES: CCCCNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SC)[C@@H]1O

InChI Key: InChIKey=MXYUMBCDPIFURO-LARJDALCSA-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 = 50326585   

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))	BDBM50326585 (CHEMBL1254932 | Methyl-3-(4-butylaminocarbonyl-1H-...) Show SMILES CCCCNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SC)[C@@H]1O |r| Show InChI InChI=1S/C14H24N4O5S/c1-3-4-5-15-13(22)8-6-18(17-16-8)10-11(20)9(7-19)23-14(24-2)12(10)21/h6,9-12,14,19-21H,3-5,7H2,1-2H3,(H,15,22)/t9-,10+,11+,12-,14+/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	1.10E+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-3 (Homo sapiens (Human))	BDBM50326585 (CHEMBL1254932 | Methyl-3-(4-butylaminocarbonyl-1H-...) Show SMILES CCCCNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SC)[C@@H]1O |r| Show InChI InChI=1S/C14H24N4O5S/c1-3-4-5-15-13(22)8-6-18(17-16-8)10-11(20)9(7-19)23-14(24-2)12(10)21/h6,9-12,14,19-21H,3-5,7H2,1-2H3,(H,15,22)/t9-,10+,11+,12-,14+/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-9 (Homo sapiens (Human))	BDBM50326585 (CHEMBL1254932 | Methyl-3-(4-butylaminocarbonyl-1H-...) Show SMILES CCCCNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SC)[C@@H]1O |r| Show InChI InChI=1S/C14H24N4O5S/c1-3-4-5-15-13(22)8-6-18(17-16-8)10-11(20)9(7-19)23-14(24-2)12(10)21/h6,9-12,14,19-21H,3-5,7H2,1-2H3,(H,15,22)/t9-,10+,11+,12-,14+/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	6.40E+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-8 (Homo sapiens (Human))	BDBM50326585 (CHEMBL1254932 | Methyl-3-(4-butylaminocarbonyl-1H-...) Show SMILES CCCCNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SC)[C@@H]1O |r| Show InChI InChI=1S/C14H24N4O5S/c1-3-4-5-15-13(22)8-6-18(17-16-8)10-11(20)9(7-19)23-14(24-2)12(10)21/h6,9-12,14,19-21H,3-5,7H2,1-2H3,(H,15,22)/t9-,10+,11+,12-,14+/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