BDBM50000298 '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL::(2R,3R,4S,5R)-2-(4-Amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(4-Amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(4-Amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol (Tubercidin)::2-(4-Amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(tubercidin)::CHEMBL267099::TUBERCIDIN::cid_6245
SMILES: Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI Key: InChIKey=HDZZVAMISRMYHH-KCGFPETGSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50000298 ('2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROX...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand. | J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM50000298 ('2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROX...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TX3CTT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine kinase (Homo sapiens (Human)) | BDBM50000298 ('2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROX...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Metabasis Therapeutics Inc Curated by ChEMBL | Assay Description Inhibition of recombinant human adenosine kinase | J Med Chem 43: 2883-93 (2000) BindingDB Entry DOI: 10.7270/Q2XG9QCV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
heat shock 70kDa protein 8 isoform 1 (Homo sapiens (Human)) | BDBM50000298 ('2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROX...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | n/a | 2.82E+4 | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis | J Med Chem 59: 4625-36 (2016) BindingDB Entry DOI: 10.7270/Q2Z03B3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NS5 (Zika virus) | BDBM50000298 ('2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROX...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of RNA-dependent RNA polymerase in Zika virus MR766 infected in African green monkey Vero cells assessed as antiviral activity by methylen... | J Med Chem 63: 470-489 (2020) Article DOI: 10.1021/acs.jmedchem.9b00775 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Programmed cell death protein 4 (Homo sapiens (Human)) | BDBM50000298 ('2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROX...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Yunnan University Curated by ChEMBL | Assay Description Stabilization of Pdcd4 expressed in human HEK293 cells assessed as inhibition of TPA-induced degradation by luciferase reporter assay | J Nat Prod 74: 1990-5 (2011) Article DOI: 10.1021/np200603g BindingDB Entry DOI: 10.7270/Q2HQ4092 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NS5 (Zika virus) | BDBM50000298 ('2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROX...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of RNA-dependent RNA polymerase in Zika virus MR766 infected in African green monkey Vero cells assessed as antiviral activity by measurin... | J Med Chem 63: 470-489 (2020) Article DOI: 10.1021/acs.jmedchem.9b00775 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NS5 (Zika virus) | BDBM50000298 ('2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROX...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of RNA-dependent RNA polymerase in Zika virus MR766 infected in African green monkey Vero cells assessed as antiviral activity by Alexa Fl... | J Med Chem 63: 470-489 (2020) Article DOI: 10.1021/acs.jmedchem.9b00775 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NS5 (Zika virus) | BDBM50000298 ('2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROX...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of RNA-dependent RNA polymerase in Zika virus MR766 infected in African green monkey Vero cells assessed as antiviral activity by measurin... | J Med Chem 63: 470-489 (2020) Article DOI: 10.1021/acs.jmedchem.9b00775 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hsf1 protein (Mus musculus) | BDBM50000298 ('2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROX...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.06E+3 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
heat shock 70kDa protein 8 isoform 1 (Homo sapiens (Human)) | BDBM50000298 ('2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROX...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis | J Med Chem 59: 4625-36 (2016) BindingDB Entry DOI: 10.7270/Q2Z03B3X | |||||||||||
More data for this Ligand-Target Pair |