BDBM61776 (2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-2,3-dihydrochromen-4-one::(2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one::(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one::(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-3,4-dihydro-2H-1-benzopyran-4-one::MLS001304066::SMR000718775::cid_10621

SMILES: COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1

InChI Key: InChIKey=QUQPHWDTPGMPEX-UHFFFAOYSA-N

Data: 9 IC50  1 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 10 hits for monomerid = 61776   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Voltage-dependent N-type calcium channel subunit alpha-1B (Human)	BDBM61776 ((2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 (Human)	BDBM61776 ((2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM61776 ((2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM61776 ((2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM61776 ((2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Human)	BDBM61776 ((2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Human)	BDBM61776 ((2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM61776 ((2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Calmodulin-1 (Human)	BDBM61776 ((2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heparanase (Human)	BDBM61776 ((2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair