BDBM50113707 2,6,9-Trisubstitute purine, 2::2-(2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine::2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-ethanol::CHEMBL311228
SMILES: CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
InChI Key: InChIKey=XZEFMZCNXDQXOZ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50113707 (2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | 7.4 | 4 |
ARIAD Pharmaceuticals | Assay Description Inhibition of human Src kinase activity by ARIAD compounds were measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FR... | Chem Biol Drug Des 67: 46-57 (2006) Article DOI: 10.1111/j.1747-0285.2005.00316.x BindingDB Entry DOI: 10.7270/Q2M61HRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Mer (Homo sapiens (Human)) | BDBM50113707 (2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Mer kinase | ACS Med Chem Lett 2: 907-912 (2011) Article DOI: 10.1021/ml200198x BindingDB Entry DOI: 10.7270/Q2DZ099R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 1 (Homo sapiens (Human)) | BDBM50113707 (2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human cdc2/cyclin B assessed as [32P] incorporation in histone H1 from [gamma32P]ATP | Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 1 (Homo sapiens (Human)) | BDBM50113707 (2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH Curated by ChEMBL | Assay Description Binding affinity to cyclin-dependent kinase 1 (CDK1) | J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Mer (Homo sapiens (Human)) | BDBM50113707 (2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Institute of Pharmacology& Toxicology Curated by ChEMBL | Assay Description Inhibition of N-terminal His-tagged Mer kinase (588 to 855 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells measured every mi... | Bioorg Med Chem 24: 3083-3092 (2016) BindingDB Entry DOI: 10.7270/Q23B621J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interferon-induced, double-stranded RNA-activated protein kinase (Homo sapiens (Human)) | BDBM50113707 (2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medical College Curated by ChEMBL | Assay Description Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay | Bioorg Med Chem Lett 21: 4108-14 (2011) Article DOI: 10.1016/j.bmcl.2011.04.149 BindingDB Entry DOI: 10.7270/Q2KK9C4H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Mer (Homo sapiens (Human)) | BDBM50113707 (2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre Universitaire Curated by ChEMBL | Assay Description Inhibition of MER (588 to 855) (unknown origin) by fluorescence assay | Eur J Med Chem 61: 2-25 (2013) Article DOI: 10.1016/j.ejmech.2012.06.005 BindingDB Entry DOI: 10.7270/Q2V40WJP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM50113707 (2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of GSK3-beta | Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cell division control protein 28 (Saccharomyces cerevisiae) | BDBM50113707 (2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of yeast W303 cdc28 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting | Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pho80/Pho85 (Saccharomyces cerevisiae) | BDBM50113707 (2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of yeast W303 Pho85 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting | Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase KIN28 (Saccharomyces cerevisiae) | BDBM50113707 (2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of yeast W303 Kin28 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting | Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Meiotic mRNA stability protein kinase SSN3 (Saccharomyces cerevisiae) | BDBM50113707 (2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of yeast W303 Srb10 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting | Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase CAK1 (Saccharomyces cerevisiae) | BDBM50113707 (2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of yeast W303 Cak1 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting | Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Mer (Homo sapiens (Human)) | BDBM50113707 (2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr... | ACS Med Chem Lett 3: 129-134 (2012) Article DOI: 10.1021/ml200239k BindingDB Entry DOI: 10.7270/Q2F76DMC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM50113707 (2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Binding affinity to GSK3-beta | Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH | |||||||||||
More data for this Ligand-Target Pair |