BDBM50046069 CHEMBL3310285
SMILES: CS(=O)(=O)NCCc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F
InChI Key: InChIKey=MGKQPZFQZLLPPL-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protein kinase C, epsilon (Homo sapiens (Human)) | BDBM50046069 (CHEMBL3310285) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of full-length recombinant PKCepsilon (unknown origin) using ERMRPRKRQGSVRRRV peptide substrate by coupled-enzyme assay | Bioorg Med Chem Lett 24: 3398-402 (2014) Article DOI: 10.1016/j.bmcl.2014.05.082 BindingDB Entry DOI: 10.7270/Q27H1M7X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50046069 (CHEMBL3310285) | 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 | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of human CYP3A4 using testosterone as substrate after 10 mins by SPE-MS analysis in presence of NADPH | Bioorg Med Chem Lett 24: 3398-402 (2014) Article DOI: 10.1016/j.bmcl.2014.05.082 BindingDB Entry DOI: 10.7270/Q27H1M7X | |||||||||||
More data for this Ligand-Target Pair |