Found 3 hits in this display Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Phosphatidylcholine:ceramide cholinephosphotransferase 2
(Mus musculus) | BDBM50545129
(CHEMBL4645607)Show SMILES COc1cc(CN(C)C(=O)c2c(OCCCC3CCN(CC3)C(=O)OC3(C)CC3)c3cccnc3n(C)c2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C33H39F3N4O6/c1-32(11-12-32)46-31(43)40-14-9-21(10-15-40)7-6-16-45-27-25-8-5-13-37-28(25)39(3)30(42)26(27)29(41)38(2)20-22-17-23(33(34,35)36)19-24(18-22)44-4/h5,8,13,17-19,21H,6-7,9-12,14-16,20H2,1-4H3 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.20 | 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)
Article DOI: 10.1016/j.bmc.2020.115376 BindingDB Entry DOI: 10.7270/Q2J106QT |
More data for this Ligand-Target Pair | |
Phosphatidylcholine:ceramide cholinephosphotransferase 2
(Homo sapiens (Human)) | BDBM50545129
(CHEMBL4645607)Show SMILES COc1cc(CN(C)C(=O)c2c(OCCCC3CCN(CC3)C(=O)OC3(C)CC3)c3cccnc3n(C)c2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C33H39F3N4O6/c1-32(11-12-32)46-31(43)40-14-9-21(10-15-40)7-6-16-45-27-25-8-5-13-37-28(25)39(3)30(42)26(27)29(41)38(2)20-22-17-23(33(34,35)36)19-24(18-22)44-4/h5,8,13,17-19,21H,6-7,9-12,14-16,20H2,1-4H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 45 | 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)
Article DOI: 10.1016/j.bmc.2020.115376 BindingDB Entry DOI: 10.7270/Q2J106QT |
More data for this Ligand-Target Pair | |
Phosphatidylcholine:ceramide cholinephosphotransferase 1
(Homo sapiens (Human)) | BDBM50545129
(CHEMBL4645607)Show SMILES COc1cc(CN(C)C(=O)c2c(OCCCC3CCN(CC3)C(=O)OC3(C)CC3)c3cccnc3n(C)c2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C33H39F3N4O6/c1-32(11-12-32)46-31(43)40-14-9-21(10-15-40)7-6-16-45-27-25-8-5-13-37-28(25)39(3)30(42)26(27)29(41)38(2)20-22-17-23(33(34,35)36)19-24(18-22)44-4/h5,8,13,17-19,21H,6-7,9-12,14-16,20H2,1-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.40E+3 | 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)
Article DOI: 10.1016/j.bmc.2020.115376 BindingDB Entry DOI: 10.7270/Q2J106QT |
More data for this Ligand-Target Pair | |