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
(Homo sapiens (Human)) | BDBM50545119
(CHEMBL4634669)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCCC(F)(F)F)c2ccccc2n(C)c1=O Show InChI InChI=1S/C25H21F9N2O3/c1-35(13-14-10-15(24(29,30)31)12-16(11-14)25(32,33)34)21(37)19-20(39-9-5-8-23(26,27)28)17-6-3-4-7-18(17)36(2)22(19)38/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | 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 2
(Mus musculus) | BDBM50545119
(CHEMBL4634669)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCCC(F)(F)F)c2ccccc2n(C)c1=O Show InChI InChI=1S/C25H21F9N2O3/c1-35(13-14-10-15(24(29,30)31)12-16(11-14)25(32,33)34)21(37)19-20(39-9-5-8-23(26,27)28)17-6-3-4-7-18(17)36(2)22(19)38/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 240 | 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 1
(Homo sapiens (Human)) | BDBM50545119
(CHEMBL4634669)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCCC(F)(F)F)c2ccccc2n(C)c1=O Show InChI InChI=1S/C25H21F9N2O3/c1-35(13-14-10-15(24(29,30)31)12-16(11-14)25(32,33)34)21(37)19-20(39-9-5-8-23(26,27)28)17-6-3-4-7-18(17)36(2)22(19)38/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+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 | |