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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'G protein-coupled receptor' and Ligand = 'BDBM50497863'   
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
G protein-coupled receptor


(Human cytomegalovirus)
BDBM50497863
PNG
(CHEMBL1824269)
Show SMILES CCCCCCCCCC(=O)N(CCN(C)C)CC1(C)Cc2ccccc2C(=O)N1
Show InChI InChI=1S/C25H41N3O2/c1-5-6-7-8-9-10-11-16-23(29)28(18-17-27(3)4)20-25(2)19-21-14-12-13-15-22(21)24(30)26-25/h12-15H,5-11,16-20H2,1-4H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a<1.00E+4n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Allosteric modulatory activity at FLAG-tagged human cytomegalovirus US28 receptor delta300 mutant expressed in HEK293T cells by PathDetectElk1 assay


Bioorg Med Chem Lett 24: 3744-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.082
BindingDB Entry DOI: 10.7270/Q27H1NJC
More data for this
Ligand-Target Pair
G protein-coupled receptor


(Human cytomegalovirus)
BDBM50497863
PNG
(CHEMBL1824269)
Show SMILES CCCCCCCCCC(=O)N(CCN(C)C)CC1(C)Cc2ccccc2C(=O)N1
Show InChI InChI=1S/C25H41N3O2/c1-5-6-7-8-9-10-11-16-23(29)28(18-17-27(3)4)20-25(2)19-21-14-12-13-15-22(21)24(30)26-25/h12-15H,5-11,16-20H2,1-4H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Allosteric modulatory activity at FLAG-tagged human cytomegalovirus US28 receptor delta300 mutant expressed in HEK293T cells by PathDetectElk1 assay


Bioorg Med Chem Lett 24: 3744-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.082
BindingDB Entry DOI: 10.7270/Q27H1NJC
More data for this
Ligand-Target Pair