BDBM50545127 CHEMBL4644293
SMILES: COc1cc(CN(C)C(=O)c2c(OCCCC3CCN(CC3)C(=O)OC3(C)CC3)c3cccnc3n(C)c2=O)cc(OC)c1
InChI Key: InChIKey=MAESKLOMCRHIFV-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human)) | BDBM50545127 (CHEMBL4644293) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL | Assay Description Inhibition of human recombinant C-terminal FLAG-tagged SMS2 expressed in Freestyle293 cell membrane using C14-phosphatidylcholineD72 and C17-ceramide... | Bioorg Med Chem 28: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human)) | BDBM50545127 (CHEMBL4644293) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL | Assay Description Inhibition of human recombinant C-terminal FLAG-tagged SMS1 expressed in mammalian expression system using C14-phosphatidylcholineD72 and C17-ceramid... | Bioorg Med Chem 28: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Mus musculus) | BDBM50545127 (CHEMBL4644293) | MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL | Assay Description Inhibition of mouse recombinant C-terminal FLAG-tagged SMS2 expressed in mammalian expression system using C14-phosphatidylcholineD72 and C17-ceramid... | Bioorg Med Chem 28: (2020) | |||||||||||
More data for this Ligand-Target Pair |