BDBM50008369 (2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(2-CADO)::2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(2-chloroadenosine)::2-Chloroadenosine::CHEMBL285819::cid_8974
SMILES: Nc1nc(Cl)nc2n(cnc12)C1OC(CO)C(O)C1O
InChI Key: InChIKey=BIXYYZIIJIXVFW-UHFFFAOYSA-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 (Homo sapiens (Human)) | BDBM50008369 ((2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [3H]CPX from adenosine A1 receptor | J Nat Prod 56: 441-455 (1993) Article DOI: 10.1021/np50094a001 BindingDB Entry DOI: 10.7270/Q2VT1S4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM50008369 ((2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid 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 | |||||||||||||
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human)) | BDBM50008369 ((2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | >5.57E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2XG9PJP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human)) | BDBM50008369 ((2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | >5.57E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2SQ8XTZ | |||||||||||
More data for this Ligand-Target Pair |