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) | BDBM50545128
(CHEMBL4641888)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCCC2CCN(CC2)C(=O)OC2(C)CC2)c2cccnc2n(C)c1=O Show InChI InChI=1S/C33H36F6N4O5/c1-31(10-11-31)48-30(46)43-13-8-20(9-14-43)6-5-15-47-26-24-7-4-12-40-27(24)42(3)29(45)25(26)28(44)41(2)19-21-16-22(32(34,35)36)18-23(17-21)33(37,38)39/h4,7,12,16-18,20H,5-6,8-11,13-15,19H2,1-3H3 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | 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)) | BDBM50545128
(CHEMBL4641888)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCCC2CCN(CC2)C(=O)OC2(C)CC2)c2cccnc2n(C)c1=O Show InChI InChI=1S/C33H36F6N4O5/c1-31(10-11-31)48-30(46)43-13-8-20(9-14-43)6-5-15-47-26-24-7-4-12-40-27(24)42(3)29(45)25(26)28(44)41(2)19-21-16-22(32(34,35)36)18-23(17-21)33(37,38)39/h4,7,12,16-18,20H,5-6,8-11,13-15,19H2,1-3H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 47 | 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)) | BDBM50545128
(CHEMBL4641888)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCCC2CCN(CC2)C(=O)OC2(C)CC2)c2cccnc2n(C)c1=O Show InChI InChI=1S/C33H36F6N4O5/c1-31(10-11-31)48-30(46)43-13-8-20(9-14-43)6-5-15-47-26-24-7-4-12-40-27(24)42(3)29(45)25(26)28(44)41(2)19-21-16-22(32(34,35)36)18-23(17-21)33(37,38)39/h4,7,12,16-18,20H,5-6,8-11,13-15,19H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 850 | 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 | |