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-QJBIFVCTSA-N

Data  9 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 61776   

TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61776((2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,...)
Affinity DataIC50:  9.50E+3nMAssay Description:Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
LigandPNGBDBM61776((2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,...)
Affinity DataIC50:  2.07E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCalmodulin-1(Human)
Universidad Aut£Noma Del Estado De Morelos

Curated by ChEMBL
LigandPNGBDBM61776((2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,...)
Affinity DataIC50:  7.40E+4nMAssay Description:Inhibition of calmodulin assessed as inhibition of calmodulin-calcium-PDE1 complex formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalmodulin-1(Human)
Universidad Aut£Noma Del Estado De Morelos

Curated by ChEMBL
LigandPNGBDBM61776((2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,...)
Affinity DataIC50:  7.00E+4nMAssay Description:Inhibition of calmodulin assessed as inhibition of calmodulin-calcium-PDE4 complex formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM61776((2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific histone demethylase 1A(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM61776((2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,...)
Affinity DataIC50:  1.92E+4nMAssay Description:Inhibition of LSD1 (unknown origin) by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM61776((2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM61776((2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of Influenza A Jiangsu/10/2003 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM61776((2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,...)
Affinity DataIC50:  1.00E+5nMAssay Description:Inhibition of Homo sapiens (human) recombinant GSK3beta after 30 min by Kinase-Glo assayMore data for this Ligand-Target Pair
In DepthDetails Article
TargetHeparanase(Human)
Centro De Investigaci�N Pr�Ncipe Felipe

Curated by ChEMBL
LigandPNGBDBM61776((2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,...)
Affinity DataKd: >1.00E+6nMAssay Description:Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed