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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Macrophage-expressed gene 1 protein' and Ligand = 'BDBM50078850'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Macrophage-expressed gene 1 protein


(Homo sapiens (Human))
BDBM50078850
PNG
(CHEBI:4778 | EMBELIN | Embelin)
Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16|
Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
PDB

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 synthase activity after 15 mins using ...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
More data for this
Ligand-Target Pair
Macrophage-expressed gene 1 protein


(Homo sapiens (Human))
BDBM50078850
PNG
(CHEBI:4778 | EMBELIN | Embelin)
Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16|
Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
More data for this
Ligand-Target Pair