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) | BDBM50545122
(CHEMBL4646354)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCCC2CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2n(C)c1=O Show InChI InChI=1S/C34H39F6N3O5/c1-32(2,3)48-31(46)43-14-12-21(13-15-43)9-8-16-47-28-25-10-6-7-11-26(25)42(5)30(45)27(28)29(44)41(4)20-22-17-23(33(35,36)37)19-24(18-22)34(38,39)40/h6-7,10-11,17-19,21H,8-9,12-16,20H2,1-5H3 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.70 | 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)) | BDBM50545122
(CHEMBL4646354)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCCC2CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2n(C)c1=O Show InChI InChI=1S/C34H39F6N3O5/c1-32(2,3)48-31(46)43-14-12-21(13-15-43)9-8-16-47-28-25-10-6-7-11-26(25)42(5)30(45)27(28)29(44)41(4)20-22-17-23(33(35,36)37)19-24(18-22)34(38,39)40/h6-7,10-11,17-19,21H,8-9,12-16,20H2,1-5H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | 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)) | BDBM50545122
(CHEMBL4646354)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCCC2CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2n(C)c1=O Show InChI InChI=1S/C34H39F6N3O5/c1-32(2,3)48-31(46)43-14-12-21(13-15-43)9-8-16-47-28-25-10-6-7-11-26(25)42(5)30(45)27(28)29(44)41(4)20-22-17-23(33(35,36)37)19-24(18-22)34(38,39)40/h6-7,10-11,17-19,21H,8-9,12-16,20H2,1-5H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40E+3 | 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 | |