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) | BDBM50545123
(CHEMBL4638337)Show SMILES COc1cc(CN(C)C(=O)c2c(OCCCC3CCN(CC3)C(=O)OC(C)(C)C)c3ccccc3n(C)c2=O)cc(OC)c1 Show InChI InChI=1S/C34H45N3O7/c1-34(2,3)44-33(40)37-16-14-23(15-17-37)11-10-18-43-30-27-12-8-9-13-28(27)36(5)32(39)29(30)31(38)35(4)22-24-19-25(41-6)21-26(20-24)42-7/h8-9,12-13,19-21,23H,10-11,14-18,22H2,1-7H3 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19 | 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)) | BDBM50545123
(CHEMBL4638337)Show SMILES COc1cc(CN(C)C(=O)c2c(OCCCC3CCN(CC3)C(=O)OC(C)(C)C)c3ccccc3n(C)c2=O)cc(OC)c1 Show InChI InChI=1S/C34H45N3O7/c1-34(2,3)44-33(40)37-16-14-23(15-17-37)11-10-18-43-30-27-12-8-9-13-28(27)36(5)32(39)29(30)31(38)35(4)22-24-19-25(41-6)21-26(20-24)42-7/h8-9,12-13,19-21,23H,10-11,14-18,22H2,1-7H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 91 | 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)) | BDBM50545123
(CHEMBL4638337)Show SMILES COc1cc(CN(C)C(=O)c2c(OCCCC3CCN(CC3)C(=O)OC(C)(C)C)c3ccccc3n(C)c2=O)cc(OC)c1 Show InChI InChI=1S/C34H45N3O7/c1-34(2,3)44-33(40)37-16-14-23(15-17-37)11-10-18-43-30-27-12-8-9-13-28(27)36(5)32(39)29(30)31(38)35(4)22-24-19-25(41-6)21-26(20-24)42-7/h8-9,12-13,19-21,23H,10-11,14-18,22H2,1-7H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90E+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)
Article DOI: 10.1016/j.bmc.2020.115376 BindingDB Entry DOI: 10.7270/Q2J106QT |
More data for this Ligand-Target Pair | |