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 |
|---|
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50424784
(CHEMBL2315103)Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-9-5-4-8-17(18)22(33)31-14-12-30(13-15-31)20-11-10-19(28-29-20)21(32)27-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,27,32) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af... |
J Med Chem 56: 568-83 (2013)
Article DOI: 10.1021/jm301661h
BindingDB Entry DOI: 10.7270/Q25Q4XDG |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50424784
(CHEMBL2315103)Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-9-5-4-8-17(18)22(33)31-14-12-30(13-15-31)20-11-10-19(28-29-20)21(32)27-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,27,32) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs |
J Med Chem 56: 568-83 (2013)
Article DOI: 10.1021/jm301661h
BindingDB Entry DOI: 10.7270/Q25Q4XDG |
More data for this
Ligand-Target Pair | |
dCTP pyrophosphatase 1
(Homo sapiens (Human)) | BDBM50424784
(CHEMBL2315103)Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-9-5-4-8-17(18)22(33)31-14-12-30(13-15-31)20-11-10-19(28-29-20)21(32)27-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,27,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet
Curated by ChEMBL
| Assay Description
Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ... |
J Med Chem 60: 4279-4292 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00182
BindingDB Entry DOI: 10.7270/Q22N54F5 |
More data for this
Ligand-Target Pair | |