BDBM50442163 CHEMBL2441346
SMILES: Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1
InChI Key: InChIKey=HFOKVVVCWLIUBP-UHFFFAOYSA-N
Data: 9 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 |
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Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human)) | BDBM50442163 (CHEMBL2441346) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development Curated by ChEMBL | Assay Description Inhibition of thapsigargin-induced autophosphorylation of PERK in human A549 cells preincubated for 1 hr followed by thapsigargin-induction measured ... | 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)) | BDBM50442163 (CHEMBL2441346) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.70 | 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)) | BDBM50442163 (CHEMBL2441346) | 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 | 99 | 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)) | BDBM50442163 (CHEMBL2441346) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 61 | 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 | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50442163 (CHEMBL2441346) | 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 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 2D6 (Homo sapiens (Human)) | BDBM50442163 (CHEMBL2441346) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 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)) | BDBM50442163 (CHEMBL2441346) | 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)) | BDBM50442163 (CHEMBL2441346) | 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 | >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 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 2C8 (Homo sapiens (Human)) | BDBM50442163 (CHEMBL2441346) | PDB 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 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 |