BDBM55038 (2E,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione;hydrochloride::(2E,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione;hydrochloride::(2E,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione;hydrochloride::(2E,4S,4aR,5S,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methylidene-5,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione;hydrochloride::(4S,4aR,5S,5aR,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-3,12-diketo-6-methylene-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride::(4S,4aR,5S,5aS,12aS)-4-(dimethylamino)-5,10,12a-trihydroxy-1,3,11,12-tetraketo-6-methylene-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride::MLS001049011::Methacycline::SMR000387056::cid_16196941

SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4C3=C)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O

InChI Key InChIKey=QNJKSUYWBCNWFI-UHFFFAOYSA-N

Data  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 55038   

TargetGenome polyprotein(Hepacivirus C)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM55038((4S,4aR,5S,5aS,12aS)-4-(dimethylamino)-5,10,12a-tr...)
Affinity DataIC50: 1.09E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetBeta-2-microglobulin(Human)
University of Pavia

LigandPNGBDBM55038((4S,4aR,5S,5aS,12aS)-4-(dimethylamino)-5,10,12a-tr...)
Affinity DataIC50: 6.90E+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
Target1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM55038((4S,4aR,5S,5aS,12aS)-4-(dimethylamino)-5,10,12a-tr...)
Affinity DataIC50: 1.22E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2014
Entry Details
PCBioAssay
TargetPC4 and SFRS1-interacting protein(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM55038((4S,4aR,5S,5aS,12aS)-4-(dimethylamino)-5,10,12a-tr...)
Affinity DataIC50: 8.53E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2014
Entry Details
PCBioAssay
TargetPC4 and SFRS1-interacting protein(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM55038((4S,4aR,5S,5aS,12aS)-4-(dimethylamino)-5,10,12a-tr...)
Affinity DataIC50: 3.90E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2014
Entry Details
PCBioAssay
TargetPC4 and SFRS1-interacting protein(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM55038((4S,4aR,5S,5aS,12aS)-4-(dimethylamino)-5,10,12a-tr...)
Affinity DataIC50: 2.73E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2014
Entry Details
PCBioAssay
TargetPC4 and SFRS1-interacting protein(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM55038((4S,4aR,5S,5aS,12aS)-4-(dimethylamino)-5,10,12a-tr...)
Affinity DataIC50: 4.76E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2014
Entry Details
PCBioAssay
Target1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM55038((4S,4aR,5S,5aS,12aS)-4-(dimethylamino)-5,10,12a-tr...)
Affinity DataIC50: 1.22E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2014
Entry Details
PCBioAssay
TargetMultidrug transporter MdfA(Escherichia coli (strain K12))
Tufts University

Curated by ChEMBL
LigandPNGBDBM55038((4S,4aR,5S,5aS,12aS)-4-(dimethylamino)-5,10,12a-tr...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of [3H]tetracycline uptake into everted membrane vesicles, prepared from tetracycline resistant Escherichia coli D1-209More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMed