BDBM52947 (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione;ethanol;hydrate;hydrochloride::(2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione;ethanol;hydrate;hydrochloride::(2Z,4S,4aR,5S,5aR,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-5,10,11,12a-tetrakis(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione;ethanol;hydrate;hydrochloride::Doxycycline::Doxycycline hyclate::MLS001056533::SMR000326704::cid_16746590

SMILES C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12

InChI Key InChIKey=VXVNYCRICCVPTD-UHFFFAOYSA-N

Data  1 KI  4 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 52947   

TargetPOsterior Segregation(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM52947(cid_16746590 | Doxycycline hyclate | (2Z,4S,4aR,5S...)
Affinity DataEC50:  3.00E+5nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetZinc finger protein mex-5(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM52947(cid_16746590 | Doxycycline hyclate | (2Z,4S,4aR,5S...)
Affinity DataEC50:  3.79E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetCysteine protease ATG4B(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM52947(cid_16746590 | Doxycycline hyclate | (2Z,4S,4aR,5S...)
Affinity DataIC50: 1.04E+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 Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetPhospholipase A2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM52947(cid_16746590 | Doxycycline hyclate | (2Z,4S,4aR,5S...)
Affinity DataIC50: 4.29E+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 Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay
TargetBeta-2-microglobulin(Human)
University of Pavia

LigandPNGBDBM52947(cid_16746590 | Doxycycline hyclate | (2Z,4S,4aR,5S...)
Affinity DataIC50: 4.70E+4nMpH: 7.4 T: 2°CAssay Description:Inhibition of wild type beta-m fibrillogenesis tetracycline congeners and was follow by thioflavin fluorescence assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2012
Entry Details Article
PubMed
TargetProtein-arginine deiminase type-4(Human)
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM52947(cid_16746590 | Doxycycline hyclate | (2Z,4S,4aR,5S...)
Affinity DataIC50: 8.60E+5nMAssay Description:Inhibition of PAD4 by ABPP-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetProtein-arginine deiminase type-4(Human)
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM52947(cid_16746590 | Doxycycline hyclate | (2Z,4S,4aR,5S...)
Affinity DataKi:  6.30E+5nMAssay Description:Inhibition of PAD4 measured by intercept plot of Lineweaver-Burke analysesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed