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SMILES: CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)C1CC1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50567168   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apelin receptor


(Homo sapiens (Human))
BDBM50567168
PNG
(CHEMBL4864542)
Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)C1CC1 |(40.9,-21.23,;42.23,-22,;43.57,-21.24,;44.9,-22,;46.23,-21.24,;46.24,-19.69,;47.56,-18.92,;47.56,-17.38,;48.9,-19.69,;48.91,-21.24,;50.24,-22,;47.57,-22.01,;47.57,-23.54,;48.9,-24.31,;50.23,-23.54,;51.57,-24.3,;48.91,-25.85,;47.57,-26.62,;46.23,-25.85,;46.23,-24.31,;44.9,-23.54,;43.57,-24.31,;50.23,-18.91,;49.45,-17.57,;51,-17.57,;51.57,-19.68,;51.57,-21.21,;52.9,-21.98,;54.23,-21.2,;54.22,-19.65,;52.89,-18.9,;55.57,-21.96,;56.35,-23.29,;57.11,-21.96,)|
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.0200n/an/an/an/a


TBA

Assay Description
Agonist activity at human APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4
More data for this
Ligand-Target Pair
Apelin receptor


(Mus musculus)
BDBM50567168
PNG
(CHEMBL4864542)
Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)C1CC1 |(40.9,-21.23,;42.23,-22,;43.57,-21.24,;44.9,-22,;46.23,-21.24,;46.24,-19.69,;47.56,-18.92,;47.56,-17.38,;48.9,-19.69,;48.91,-21.24,;50.24,-22,;47.57,-22.01,;47.57,-23.54,;48.9,-24.31,;50.23,-23.54,;51.57,-24.3,;48.91,-25.85,;47.57,-26.62,;46.23,-25.85,;46.23,-24.31,;44.9,-23.54,;43.57,-24.31,;50.23,-18.91,;49.45,-17.57,;51,-17.57,;51.57,-19.68,;51.57,-21.21,;52.9,-21.98,;54.23,-21.2,;54.22,-19.65,;52.89,-18.9,;55.57,-21.96,;56.35,-23.29,;57.11,-21.96,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.0300n/an/an/an/a


TBA

Assay Description
Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50567168
PNG
(CHEMBL4864542)
Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)C1CC1 |(40.9,-21.23,;42.23,-22,;43.57,-21.24,;44.9,-22,;46.23,-21.24,;46.24,-19.69,;47.56,-18.92,;47.56,-17.38,;48.9,-19.69,;48.91,-21.24,;50.24,-22,;47.57,-22.01,;47.57,-23.54,;48.9,-24.31,;50.23,-23.54,;51.57,-24.3,;48.91,-25.85,;47.57,-26.62,;46.23,-25.85,;46.23,-24.31,;44.9,-23.54,;43.57,-24.31,;50.23,-18.91,;49.45,-17.57,;51,-17.57,;51.57,-19.68,;51.57,-21.21,;52.9,-21.98,;54.23,-21.2,;54.22,-19.65,;52.89,-18.9,;55.57,-21.96,;56.35,-23.29,;57.11,-21.96,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.0600n/an/an/an/a


TBA

Assay Description
Agonist activity at rat APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4
More data for this
Ligand-Target Pair