BDBM50049823 4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile::4-Amino-7-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile::4-Amino-7-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile(toyocamycin)::4-amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile::Ara-toyocamycine::CHEMBL99668::TOYOCAMYCIN::Unamycin B::cid_247955

SMILES Nc1ncnc2n(cc(C#N)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key InChIKey=XOKJUSAYZUAMGJ-WOUKDFQISA-N

Data  4 IC50  2 Kd  1 EC50

PDB links: 5 PDB IDs match this monomer.

  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 = 50049823   

TargetProbable global transcription activator SNF2L2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50049823(4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...)
Affinity DataEC50:  9.12E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetAdenosine kinase(Homo sapiens (Human))
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50049823(4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...)
Affinity DataIC50:  310nMAssay Description:Inhibition of human adenosine kinase activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine kinase(Homo sapiens (Human))
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50049823(4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...)
Affinity DataIC50:  310nMAssay Description:Inhibition of recombinant human adenosine kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Homo sapiens (Human))
University College London

Curated by ChEMBL
LigandPNGBDBM50049823(4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...)
Affinity DataIC50:  4.40E+4nMAssay Description:Inhibition of DOT1L (unknown origin) using chicken nucleosome as substrate in presence of [3H]SAM incubated for 1 hr by TopCount methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock cognate 71 kDa protein(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50049823(4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...)
Affinity DataKd:  9.00E+4nMAssay Description:Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine kinase(Homo sapiens (Human))
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50049823(4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...)
Affinity DataIC50:  309nMAssay Description:Concentration required for 50% inhibition of the adenosine kinase (AK) activity.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock cognate 71 kDa protein(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50049823(4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxyme...)
Affinity DataKd:  9.12E+4nMAssay Description:Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed