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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50577741'   
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
Apelin receptor


(Rattus norvegicus)
BDBM50577741
PNG
(CHEMBL4848469)
Show SMILES CCCCc1[nH]c(=O)c(C(=O)NCc2ccccc2)c(O)c1-c1c(OC)cccc1OC |(66.14,-11.32,;67.48,-12.09,;68.81,-11.32,;70.14,-12.08,;71.48,-11.31,;71.48,-9.77,;72.81,-9,;72.82,-7.46,;74.15,-9.77,;75.48,-9,;75.48,-7.46,;76.81,-9.77,;78.15,-9,;79.48,-9.77,;79.48,-11.31,;80.81,-12.08,;82.14,-11.31,;82.14,-9.76,;80.81,-9,;74.15,-11.3,;75.48,-12.07,;72.81,-12.07,;72.82,-13.6,;74.16,-14.37,;75.49,-13.59,;76.82,-14.36,;74.16,-15.92,;72.82,-16.69,;71.49,-15.92,;71.49,-14.37,;70.16,-13.6,;68.82,-14.37,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.80E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at rat APJ receptor expressed in HEK293T cells assessed as compound stimulated inhibition of forskolin stimulated cAMP production in...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00385
BindingDB Entry DOI: 10.7270/Q2M330MF
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50577741
PNG
(CHEMBL4848469)
Show SMILES CCCCc1[nH]c(=O)c(C(=O)NCc2ccccc2)c(O)c1-c1c(OC)cccc1OC |(66.14,-11.32,;67.48,-12.09,;68.81,-11.32,;70.14,-12.08,;71.48,-11.31,;71.48,-9.77,;72.81,-9,;72.82,-7.46,;74.15,-9.77,;75.48,-9,;75.48,-7.46,;76.81,-9.77,;78.15,-9,;79.48,-9.77,;79.48,-11.31,;80.81,-12.08,;82.14,-11.31,;82.14,-9.76,;80.81,-9,;74.15,-11.3,;75.48,-12.07,;72.81,-12.07,;72.82,-13.6,;74.16,-14.37,;75.49,-13.59,;76.82,-14.36,;74.16,-15.92,;72.82,-16.69,;71.49,-15.92,;71.49,-14.37,;70.16,-13.6,;68.82,-14.37,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at human APJ receptor expressed in HEK293T cells assessed as compound stimulated inhibition of forskolin stimulated cAMP production ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00385
BindingDB Entry DOI: 10.7270/Q2M330MF
More data for this
Ligand-Target Pair