BDBM50247506 CHEMBL4099402

SMILES: Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccccc2)cc1

InChI Key: InChIKey=UXTIXSJGDMNABM-IFLJBQAJSA-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 = 50247506   

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))	BDBM50247506 (CHEMBL4099402) Show SMILES Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C21H23N3O4S/c1-13-7-9-15(10-8-13)29-21-20(27)18(19(26)17(12-25)28-21)24-11-16(22-23-24)14-5-3-2-4-6-14/h2-11,17-21,25-27H,12H2,1H3/t17-,18+,19+,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	8.80E+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))	BDBM50247506 (CHEMBL4099402) Show SMILES Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C21H23N3O4S/c1-13-7-9-15(10-8-13)29-21-20(27)18(19(26)17(12-25)28-21)24-11-16(22-23-24)14-5-3-2-4-6-14/h2-11,17-21,25-27H,12H2,1H3/t17-,18+,19+,20-,21+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.20E+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