BDBM50533580 CHEMBL4446622

SMILES: [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O

InChI Key: InChIKey=NUVVBMDSAGKGGC-PBGHOUHASA-N

Data: 14 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 14 hits for monomerid = 50533580   

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-9 (Homo sapiens (Human))	BDBM50533580 (CHEMBL4446622) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H34O14S/c33-11-21-23(35)27(41-13-17-9-15-5-1-3-7-19(15)43-29(17)39)25(37)31(45-21)47-32-26(38)28(24(36)22(12-34)46-32)42-14-18-10-16-6-2-4-8-20(16)44-30(18)40/h1-10,21-28,31-38H,11-14H2/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	2.40E+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-9 C-terminal after 5 mins in presence of fluorescent probe 3,3'-dideoxy-3-[4-(fluorescein-...				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))	BDBM50533580 (CHEMBL4446622) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H34O14S/c33-11-21-23(35)27(41-13-17-9-15-5-1-3-7-19(15)43-29(17)39)25(37)31(45-21)47-32-26(38)28(24(36)22(12-34)46-32)42-14-18-10-16-6-2-4-8-20(16)44-30(18)40/h1-10,21-28,31-38H,11-14H2/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	270	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 K176L mutant after 5 mins in presence of fluorescent probe beta-D-galactopyranosyl(1-4)-...				J Med Chem 59: 8141-7 (2016) Article DOI: 10.1021/acs.jmedchem.6b00957
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM50533580 (CHEMBL4446622) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H34O14S/c33-11-21-23(35)27(41-13-17-9-15-5-1-3-7-19(15)43-29(17)39)25(37)31(45-21)47-32-26(38)28(24(36)22(12-34)46-32)42-14-18-10-16-6-2-4-8-20(16)44-30(18)40/h1-10,21-28,31-38H,11-14H2/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	1.60E+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))	BDBM50533580 (CHEMBL4446622) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H34O14S/c33-11-21-23(35)27(41-13-17-9-15-5-1-3-7-19(15)43-29(17)39)25(37)31(45-21)47-32-26(38)28(24(36)22(12-34)46-32)42-14-18-10-16-6-2-4-8-20(16)44-30(18)40/h1-10,21-28,31-38H,11-14H2/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	91	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-4 (Homo sapiens (Human))	BDBM50533580 (CHEMBL4446622) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H34O14S/c33-11-21-23(35)27(41-13-17-9-15-5-1-3-7-19(15)43-29(17)39)25(37)31(45-21)47-32-26(38)28(24(36)22(12-34)46-32)42-14-18-10-16-6-2-4-8-20(16)44-30(18)40/h1-10,21-28,31-38H,11-14H2/t21-,22-,23+,24+,25-,26-,27+,28+,31+,32+/m1/s1	PDB MMDB 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+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-4 C-terminal after 5 mins in presence of fluorescent probe 2-(fluorescein-5/6-yl-carbonyl)...				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)	BDBM50533580 (CHEMBL4446622) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H34O14S/c33-11-21-23(35)27(41-13-17-9-15-5-1-3-7-19(15)43-29(17)39)25(37)31(45-21)47-32-26(38)28(24(36)22(12-34)46-32)42-14-18-10-16-6-2-4-8-20(16)44-30(18)40/h1-10,21-28,31-38H,11-14H2/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	5.00E+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 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-3 (Homo sapiens (Human))	BDBM50533580 (CHEMBL4446622) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H34O14S/c33-11-21-23(35)27(41-13-17-9-15-5-1-3-7-19(15)43-29(17)39)25(37)31(45-21)47-32-26(38)28(24(36)22(12-34)46-32)42-14-18-10-16-6-2-4-8-20(16)44-30(18)40/h1-10,21-28,31-38H,11-14H2/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	5.00E+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 human galectin-3 R186S mutant after 5 mins in presence of fluorescent probe 2-(fluorescein-5/6-yl-carbony...				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))	BDBM50533580 (CHEMBL4446622) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H34O14S/c33-11-21-23(35)27(41-13-17-9-15-5-1-3-7-19(15)43-29(17)39)25(37)31(45-21)47-32-26(38)28(24(36)22(12-34)46-32)42-14-18-10-16-6-2-4-8-20(16)44-30(18)40/h1-10,21-28,31-38H,11-14H2/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	1.60E+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-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-3 (Homo sapiens (Human))	BDBM50533580 (CHEMBL4446622) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H34O14S/c33-11-21-23(35)27(41-13-17-9-15-5-1-3-7-19(15)43-29(17)39)25(37)31(45-21)47-32-26(38)28(24(36)22(12-34)46-32)42-14-18-10-16-6-2-4-8-20(16)44-30(18)40/h1-10,21-28,31-38H,11-14H2/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	1.10E+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-3 R186K mutant after 5 mins in presence of fluorescent probe beta-D-galactopyranosyl(1-4)-...				J Med Chem 59: 8141-7 (2016) Article DOI: 10.1021/acs.jmedchem.6b00957
					More data for this Ligand-Target Pair
Galectin-4 (Homo sapiens (Human))	BDBM50533580 (CHEMBL4446622) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H34O14S/c33-11-21-23(35)27(41-13-17-9-15-5-1-3-7-19(15)43-29(17)39)25(37)31(45-21)47-32-26(38)28(24(36)22(12-34)46-32)42-14-18-10-16-6-2-4-8-20(16)44-30(18)40/h1-10,21-28,31-38H,11-14H2/t21-,22-,23+,24+,25-,26-,27+,28+,31+,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.10E+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-4 N-terminal after 5 mins in presence of fluorescent probe 3,3'-dideoxy-3-[4-(fluorescein-...				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))	BDBM50533580 (CHEMBL4446622) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H34O14S/c33-11-21-23(35)27(41-13-17-9-15-5-1-3-7-19(15)43-29(17)39)25(37)31(45-21)47-32-26(38)28(24(36)22(12-34)46-32)42-14-18-10-16-6-2-4-8-20(16)44-30(18)40/h1-10,21-28,31-38H,11-14H2/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	3.00E+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 R144K mutant after 5 mins in presence of fluorescent probe 2-(fluorescein-5/6-yl-carbony...				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))	BDBM50533580 (CHEMBL4446622) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H34O14S/c33-11-21-23(35)27(41-13-17-9-15-5-1-3-7-19(15)43-29(17)39)25(37)31(45-21)47-32-26(38)28(24(36)22(12-34)46-32)42-14-18-10-16-6-2-4-8-20(16)44-30(18)40/h1-10,21-28,31-38H,11-14H2/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	6.10E+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 R144S mutant after 5 mins in presence of fluorescent probe 2-(fluorescein-5/6-yl-carbony...				J Med Chem 59: 8141-7 (2016) Article DOI: 10.1021/acs.jmedchem.6b00957
					More data for this Ligand-Target Pair
Galectin-2 (Homo sapiens (Human))	BDBM50533580 (CHEMBL4446622) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H34O14S/c33-11-21-23(35)27(41-13-17-9-15-5-1-3-7-19(15)43-29(17)39)25(37)31(45-21)47-32-26(38)28(24(36)22(12-34)46-32)42-14-18-10-16-6-2-4-8-20(16)44-30(18)40/h1-10,21-28,31-38H,11-14H2/t21-,22-,23+,24+,25-,26-,27+,28+,31+,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.90E+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-2 after 5 mins in presence of fluorescent probe ,3'-dideoxy-3-[4-(fluorescein-5-yl-carbony...				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))	BDBM50533580 (CHEMBL4446622) Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C32H34O14S/c33-11-21-23(35)27(41-13-17-9-15-5-1-3-7-19(15)43-29(17)39)25(37)31(45-21)47-32-26(38)28(24(36)22(12-34)46-32)42-14-18-10-16-6-2-4-8-20(16)44-30(18)40/h1-10,21-28,31-38H,11-14H2/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	1.10E+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