BDBM50654 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purine-6-thione::2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione::2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione::2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-6-thione::6-Thioguanosine::9H-Purine-6-thiol, 2-amino-9-.beta.-D-arabinofuranosyl-, hydrate (4:1)::MLS000738229::SMR000528588::cid_3938248

SMILES Nc1nc2n(cnc2c(=S)[nH]1)C1OC(CO)C(O)C1O

InChI Key InChIKey=OTDJAMXESTUWLO-UHFFFAOYSA-N

Data  3 KI  4 IC50  1 EC50

  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 8 hits for monomerid = 50654   

TargetTransmembrane and immunoglobulin domain-containing 3(Rat)
National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database
LigandPNGBDBM50654(2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofura...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A2a(Rat)
National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database
LigandPNGBDBM50654(2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofura...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A1(Rat)
National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database
LigandPNGBDBM50654(2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofura...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Fraunhofer Institute For Translational Medicine and Pharmacology (Itmp) and Fraunhofer Cluster of Excellence For Immune Mediated Diseases (Cimd

LigandPNGBDBM50654(2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofura...)
Affinity DataIC50:  6.31E+3nMAssay Description:Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...More data for this Ligand-Target Pair
In DepthDetails Article
TargetBcl-2-like protein 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50654(2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofura...)
Affinity DataIC50:  3.40E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50654(2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofura...)
Affinity DataIC50:  4.94E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50654(2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofura...)
Affinity DataIC50:  7.34E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlycogen synthase kinase-3 beta(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50654(2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofura...)
Affinity DataEC50: >3.00E+5nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay