BDBM21527 N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(phenylcarbamothioyl)amino]oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide::Thioureido N-acetyllactosamine derivative, 11

SMILES: CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)Nc3ccccc3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O

InChI Key: InChIKey=JPGWVZHKXOGIBY-WCXBJNHRSA-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 = 21527   

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))	BDBM21527 (N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)Nc3ccccc3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C22H33N3O10S/c1-10(28)23-15-17(30)19(13(9-27)34-20(15)32-2)35-21-18(31)14(16(29)12(8-26)33-21)25-22(36)24-11-6-4-3-5-7-11/h3-7,12-21,26-27,29-31H,8-9H2,1-2H3,(H,23,28)(H2,24,25,36)/t12-,13-,14+,15-,16+,17-,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	Article PubMed	n/a	n/a	n/a	4.50E+4	n/a	n/a	n/a	7.2	24
Lund University					Assay Description In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...				Bioorg Med Chem 14: 1215-20 (2006) Article DOI: 10.1016/j.bmc.2005.09.050 BindingDB Entry DOI: 10.7270/Q2B856FP
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM21527 (N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)Nc3ccccc3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C22H33N3O10S/c1-10(28)23-15-17(30)19(13(9-27)34-20(15)32-2)35-21-18(31)14(16(29)12(8-26)33-21)25-22(36)24-11-6-4-3-5-7-11/h3-7,12-21,26-27,29-31H,8-9H2,1-2H3,(H,23,28)(H2,24,25,36)/t12-,13-,14+,15-,16+,17-,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	Article PubMed	n/a	n/a	n/a	4.00E+4	n/a	n/a	n/a	7.2	24
Lund University					Assay Description In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...				Bioorg Med Chem 14: 1215-20 (2006) Article DOI: 10.1016/j.bmc.2005.09.050 BindingDB Entry DOI: 10.7270/Q2B856FP
					More data for this Ligand-Target Pair
Galectin-9 (Homo sapiens (Human))	BDBM21527 (N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)Nc3ccccc3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C22H33N3O10S/c1-10(28)23-15-17(30)19(13(9-27)34-20(15)32-2)35-21-18(31)14(16(29)12(8-26)33-21)25-22(36)24-11-6-4-3-5-7-11/h3-7,12-21,26-27,29-31H,8-9H2,1-2H3,(H,23,28)(H2,24,25,36)/t12-,13-,14+,15-,16+,17-,18-,19-,20-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a
Lund University					Assay Description In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...				Bioorg Med Chem 14: 1215-20 (2006) Article DOI: 10.1016/j.bmc.2005.09.050 BindingDB Entry DOI: 10.7270/Q2B856FP
					More data for this Ligand-Target Pair
Galectin-8 (Homo sapiens (Human))	BDBM21527 (N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)Nc3ccccc3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C22H33N3O10S/c1-10(28)23-15-17(30)19(13(9-27)34-20(15)32-2)35-21-18(31)14(16(29)12(8-26)33-21)25-22(36)24-11-6-4-3-5-7-11/h3-7,12-21,26-27,29-31H,8-9H2,1-2H3,(H,23,28)(H2,24,25,36)/t12-,13-,14+,15-,16+,17-,18-,19-,20-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>3.00E+6	n/a	n/a	n/a	n/a	n/a
Lund University					Assay Description In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...				Bioorg Med Chem 14: 1215-20 (2006) Article DOI: 10.1016/j.bmc.2005.09.050 BindingDB Entry DOI: 10.7270/Q2B856FP
					More data for this Ligand-Target Pair
Galectin-7 (Homo sapiens (Human))	BDBM21527 (N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihyd...) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)Nc3ccccc3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O Show InChI InChI=1S/C22H33N3O10S/c1-10(28)23-15-17(30)19(13(9-27)34-20(15)32-2)35-21-18(31)14(16(29)12(8-26)33-21)25-22(36)24-11-6-4-3-5-7-11/h3-7,12-21,26-27,29-31H,8-9H2,1-2H3,(H,23,28)(H2,24,25,36)/t12-,13-,14+,15-,16+,17-,18-,19-,20-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a
Lund University					Assay Description In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...				Bioorg Med Chem 14: 1215-20 (2006) Article DOI: 10.1016/j.bmc.2005.09.050 BindingDB Entry DOI: 10.7270/Q2B856FP
					More data for this Ligand-Target Pair