BDBM50426737 CHEMBL2322137
SMILES: C1CCC(CC1)c1noc2cnc3[nH]ccc3c12
InChI Key: InChIKey=MNRAJFUSWSJXCI-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 |
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Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM50426737 (CHEMBL2322137) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 430 | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center Curated by ChEMBL | Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation | Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase C alpha type (Homo sapiens (Human)) | BDBM50426737 (CHEMBL2322137) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center Curated by ChEMBL | Assay Description Inhibition of PKCalpha (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP | Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM50426737 (CHEMBL2322137) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center Curated by ChEMBL | Assay Description Inhibition of JAK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1 uM ATP | Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM50426737 (CHEMBL2322137) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center Curated by ChEMBL | Assay Description Inhibition of JAK2 in human UT7 cells assessed as inhibition of Epo-dependent STAT5 phosphorylation | Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human)) | BDBM50426737 (CHEMBL2322137) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center Curated by ChEMBL | Assay Description Inhibition of TYK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1 uM ATP | Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human)) | BDBM50426737 (CHEMBL2322137) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center Curated by ChEMBL | Assay Description Inhibition of KDR (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP | Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human)) | BDBM50426737 (CHEMBL2322137) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center Curated by ChEMBL | Assay Description Inhibition of FLT3 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1000 uM ATP | Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM50426737 (CHEMBL2322137) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center Curated by ChEMBL | Assay Description Inhibition of Aurora 1 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP | Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM50426737 (CHEMBL2322137) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center Curated by ChEMBL | Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation | Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT | |||||||||||
More data for this Ligand-Target Pair |