BDBM50247473 CHEMBL4093346

SMILES: CCCCNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCc3cc4c(F)c(F)ccc4oc3=O)[C@H]2O)[C@@H]1O

InChI Key: InChIKey=SDKPFXUUVIUPGV-YKDVECABSA-N

Data: 2 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 2 hits for monomerid = 50247473   

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))	BDBM50247473 (CHEMBL4093346) Show SMILES CCCCNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCc3cc4c(F)c(F)ccc4oc3=O)[C@H]2O)[C@@H]1O |r| Show InChI InChI=1S/C29H36F2N4O12S2/c1-2-3-6-32-26(42)15-8-35(34-33-15)20-21(38)17(9-36)46-28(23(20)40)48-49-29-24(41)25(22(39)18(10-37)47-29)44-11-12-7-13-16(45-27(12)43)5-4-14(30)19(13)31/h4-5,7-8,17-18,20-25,28-29,36-41H,2-3,6,9-11H2,1H3,(H,32,42)/t17-,18-,20+,21+,22+,23-,24-,25+,28+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxybenzamido)-1,1'-sulfanediyl-di-beta-...				J Med Chem 61: 1164-1175 (2018) BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM50247473 (CHEMBL4093346) Show SMILES CCCCNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCc3cc4c(F)c(F)ccc4oc3=O)[C@H]2O)[C@@H]1O |r| Show InChI InChI=1S/C29H36F2N4O12S2/c1-2-3-6-32-26(42)15-8-35(34-33-15)20-21(38)17(9-36)46-28(23(20)40)48-49-29-24(41)25(22(39)18(10-37)47-29)44-11-12-7-13-16(45-27(12)43)5-4-14(30)19(13)31/h4-5,7-8,17-18,20-25,28-29,36-41H,2-3,6,9-11H2,1H3,(H,32,42)/t17-,18-,20+,21+,22+,23-,24-,25+,28+,29+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	6.60E+5	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxy-benzamido)-1,1'-sulfanediyl-di-beta...				J Med Chem 61: 1164-1175 (2018) BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair