BDBM50442162 CHEMBL2441342
SMILES: Cn1cc(-c2ccc3N(CCc3c2F)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12
InChI Key: InChIKey=QAEKSWBVYBVLNO-UHFFFAOYSA-N
Data: 10 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Eukaryotic translation initiation factor 2-alpha kinase 4 (Homo sapiens (Human)) | BDBM50442162 (CHEMBL2441342) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 776 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development Curated by ChEMBL | Assay Description Inhibition of GCN2 (unknown origin) assessed as EIF2AK4 phosphorylation | ACS Med Chem Lett 4: 964-8 (2013) Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human)) | BDBM50442162 (CHEMBL2441342) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development Curated by ChEMBL | Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc... | ACS Med Chem Lett 4: 964-8 (2013) Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interferon-induced, double-stranded RNA-activated protein kinase (Homo sapiens (Human)) | BDBM50442162 (CHEMBL2441342) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 359 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development Curated by ChEMBL | Assay Description Inhibition of PKR (unknown origin) assessed as EIF2AK2 phosphorylation | ACS Med Chem Lett 4: 964-8 (2013) Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Eukaryotic translation initiation factor 2-alpha kinase 1 (Homo sapiens (Human)) | BDBM50442162 (CHEMBL2441342) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development Curated by ChEMBL | Assay Description Inhibition of HRI (unknown origin) assessed as EIF2AK1 phosphorylation | ACS Med Chem Lett 4: 964-8 (2013) Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human)) | BDBM50442162 (CHEMBL2441342) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University Curated by ChEMBL | Assay Description Inhibition of recombinant human GST-tagged RIPK1 (1 to 479 residues) incubated for 4 hrs by ADP-Glo assay | J Med Chem 63: 1490-1510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01317 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50442162 (CHEMBL2441342) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 5 to 60 mins by LC-MS/MS analysis | ACS Med Chem Lett 4: 964-8 (2013) Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50442162 (CHEMBL2441342) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate after 5 to 60 mins by LC-MS/MS analysis | ACS Med Chem Lett 4: 964-8 (2013) Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50442162 (CHEMBL2441342) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 5 to 60 mins by LC-MS/MS analysis | ACS Med Chem Lett 4: 964-8 (2013) Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50442162 (CHEMBL2441342) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 5 to 60 mins by LC-MS/MS analysis | ACS Med Chem Lett 4: 964-8 (2013) Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C8 (Homo sapiens (Human)) | BDBM50442162 (CHEMBL2441342) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development Curated by ChEMBL | Assay Description Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 5 to 60 mins by LC-MS/MS analysis | ACS Med Chem Lett 4: 964-8 (2013) Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X | |||||||||||
More data for this Ligand-Target Pair |