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) | BDBM50545124
(CHEMBL4639746)Show SMILES CCOc1cc(CN(C)C(=O)c2c(OCCCC3CCN(CC3)C(=O)OC(C)(C)C)c3ccccc3n(C)c2=O)cc(OCC)c1 Show InChI InChI=1S/C36H49N3O7/c1-8-43-27-21-26(22-28(23-27)44-9-2)24-37(6)33(40)31-32(29-14-10-11-15-30(29)38(7)34(31)41)45-20-12-13-25-16-18-39(19-17-25)35(42)46-36(3,4)5/h10-11,14-15,21-23,25H,8-9,12-13,16-20,24H2,1-7H3 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 51 | 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)) | BDBM50545124
(CHEMBL4639746)Show SMILES CCOc1cc(CN(C)C(=O)c2c(OCCCC3CCN(CC3)C(=O)OC(C)(C)C)c3ccccc3n(C)c2=O)cc(OCC)c1 Show InChI InChI=1S/C36H49N3O7/c1-8-43-27-21-26(22-28(23-27)44-9-2)24-37(6)33(40)31-32(29-14-10-11-15-30(29)38(7)34(31)41)45-20-12-13-25-16-18-39(19-17-25)35(42)46-36(3,4)5/h10-11,14-15,21-23,25H,8-9,12-13,16-20,24H2,1-7H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 380 | 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)) | BDBM50545124
(CHEMBL4639746)Show SMILES CCOc1cc(CN(C)C(=O)c2c(OCCCC3CCN(CC3)C(=O)OC(C)(C)C)c3ccccc3n(C)c2=O)cc(OCC)c1 Show InChI InChI=1S/C36H49N3O7/c1-8-43-27-21-26(22-28(23-27)44-9-2)24-37(6)33(40)31-32(29-14-10-11-15-30(29)38(7)34(31)41)45-20-12-13-25-16-18-39(19-17-25)35(42)46-36(3,4)5/h10-11,14-15,21-23,25H,8-9,12-13,16-20,24H2,1-7H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+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 | |