BDBM50533581 CHEMBL4588244

SMILES: [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3cc(Cl)ccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3cc(Cl)ccc3oc2=O)[C@H]1O

InChI Key: InChIKey=BTNQLEWIFJCYPT-PBGHOUHASA-N

Data: 5 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 5 hits for monomerid = 50533581   

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-1 (Homo sapiens (Human))	BDBM50533581 (CHEMBL4588244) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3cc(Cl)ccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3cc(Cl)ccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H32Cl2O14S/c33-17-1-3-19-13(7-17)5-15(29(41)45-19)11-43-27-23(37)21(9-35)47-31(25(27)39)49-32-26(40)28(24(38)22(10-36)48-32)44-12-16-6-14-8-18(34)2-4-20(14)46-30(16)42/h1-8,21-28,31-32,35-40H,9-12H2/t21-,22-,23+,24+,25-,26-,27+,28+,31+,32+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a
Institute of Science Education and Research-Kolkata (IISER) Kolkata Curated by ChEMBL					Assay Description Competitive binding affinity to recombinant human galectin-1 after 5 mins in presence of fluorescent probe 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbon...				J Med Chem 59: 8141-7 (2016) Article DOI: 10.1021/acs.jmedchem.6b00957
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50533581 (CHEMBL4588244) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3cc(Cl)ccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3cc(Cl)ccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H32Cl2O14S/c33-17-1-3-19-13(7-17)5-15(29(41)45-19)11-43-27-23(37)21(9-35)47-31(25(27)39)49-32-26(40)28(24(38)22(10-36)48-32)44-12-16-6-14-8-18(34)2-4-20(14)46-30(16)42/h1-8,21-28,31-32,35-40H,9-12H2/t21-,22-,23+,24+,25-,26-,27+,28+,31+,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
Institute of Science Education and Research-Kolkata (IISER) Kolkata Curated by ChEMBL					Assay Description Competitive binding affinity to recombinant human galectin-3 after 5 mins in presence of fluorescent probe by fluorescence polarization assay				J Med Chem 59: 8141-7 (2016) Article DOI: 10.1021/acs.jmedchem.6b00957
					More data for this Ligand-Target Pair
Galectin-7 (Mus musculus)	BDBM50533581 (CHEMBL4588244) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3cc(Cl)ccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3cc(Cl)ccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H32Cl2O14S/c33-17-1-3-19-13(7-17)5-15(29(41)45-19)11-43-27-23(37)21(9-35)47-31(25(27)39)49-32-26(40)28(24(38)22(10-36)48-32)44-12-16-6-14-8-18(34)2-4-20(14)46-30(16)42/h1-8,21-28,31-32,35-40H,9-12H2/t21-,22-,23+,24+,25-,26-,27+,28+,31+,32+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a
Institute of Science Education and Research-Kolkata (IISER) Kolkata Curated by ChEMBL					Assay Description Competitive binding affinity to recombinant mouse galectin-7 after 5 mins in presence of fluorescent probe beta-D-galactopyranosyl(1-4)-2- acetamido-...				J Med Chem 59: 8141-7 (2016) Article DOI: 10.1021/acs.jmedchem.6b00957
					More data for this Ligand-Target Pair
Galectin-9 (Homo sapiens (Human))	BDBM50533581 (CHEMBL4588244) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3cc(Cl)ccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3cc(Cl)ccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H32Cl2O14S/c33-17-1-3-19-13(7-17)5-15(29(41)45-19)11-43-27-23(37)21(9-35)47-31(25(27)39)49-32-26(40)28(24(38)22(10-36)48-32)44-12-16-6-14-8-18(34)2-4-20(14)46-30(16)42/h1-8,21-28,31-32,35-40H,9-12H2/t21-,22-,23+,24+,25-,26-,27+,28+,31+,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a
Institute of Science Education and Research-Kolkata (IISER) Kolkata Curated by ChEMBL					Assay Description Competitive binding affinity to recombinant human galectin-9 N-terminal after 5 mins in presence of fluorescent probe 2-(fluorescein-5-yl-carbonylami...				J Med Chem 59: 8141-7 (2016) Article DOI: 10.1021/acs.jmedchem.6b00957
					More data for this Ligand-Target Pair
Galectin-8 (Homo sapiens (Human))	BDBM50533581 (CHEMBL4588244) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3cc(Cl)ccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3cc(Cl)ccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H32Cl2O14S/c33-17-1-3-19-13(7-17)5-15(29(41)45-19)11-43-27-23(37)21(9-35)47-31(25(27)39)49-32-26(40)28(24(38)22(10-36)48-32)44-12-16-6-14-8-18(34)2-4-20(14)46-30(16)42/h1-8,21-28,31-32,35-40H,9-12H2/t21-,22-,23+,24+,25-,26-,27+,28+,31+,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a
Institute of Science Education and Research-Kolkata (IISER) Kolkata Curated by ChEMBL					Assay Description Competitive binding affinity to recombinant human galectin-8 N-terminal after 5 mins in presence of fluorescent probe 2-(fluorescein-5-yl-carbonylami...				J Med Chem 59: 8141-7 (2016) Article DOI: 10.1021/acs.jmedchem.6b00957
					More data for this Ligand-Target Pair