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) | BDBM50545118
(CHEMBL4637599)Show SMILES CC(C)CCOc1c(C(=O)N(C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(=O)n(C)c2ccccc12 Show InChI InChI=1S/C26H26F6N2O3/c1-15(2)9-10-37-22-19-7-5-6-8-20(19)34(4)24(36)21(22)23(35)33(3)14-16-11-17(25(27,28)29)13-18(12-16)26(30,31)32/h5-8,11-13,15H,9-10,14H2,1-4H3 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 260 | 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)) | BDBM50545118
(CHEMBL4637599)Show SMILES CC(C)CCOc1c(C(=O)N(C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(=O)n(C)c2ccccc12 Show InChI InChI=1S/C26H26F6N2O3/c1-15(2)9-10-37-22-19-7-5-6-8-20(19)34(4)24(36)21(22)23(35)33(3)14-16-11-17(25(27,28)29)13-18(12-16)26(30,31)32/h5-8,11-13,15H,9-10,14H2,1-4H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 350 | 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)) | BDBM50545118
(CHEMBL4637599)Show SMILES CC(C)CCOc1c(C(=O)N(C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(=O)n(C)c2ccccc12 Show InChI InChI=1S/C26H26F6N2O3/c1-15(2)9-10-37-22-19-7-5-6-8-20(19)34(4)24(36)21(22)23(35)33(3)14-16-11-17(25(27,28)29)13-18(12-16)26(30,31)32/h5-8,11-13,15H,9-10,14H2,1-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | 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 | |