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SMILES: CCCCc1nc(=O)c(C(=O)N2CC[C@H](C2)c2ccccc2)c(O)n1-c1c(OC)cccc1OC

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 2 hits for monomerid = 50577747   
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


(Rattus norvegicus)
BDBM50577747
PNG
(CHEMBL4872407)
Show SMILES CCCCc1nc(=O)c(C(=O)N2CC[C@H](C2)c2ccccc2)c(O)n1-c1c(OC)cccc1OC |r,wD:14.16,(25.17,-48.11,;26.5,-48.88,;27.83,-48.11,;29.17,-48.87,;30.52,-48.11,;30.52,-46.57,;31.84,-45.8,;31.84,-44.24,;33.17,-46.57,;34.51,-45.79,;34.51,-44.25,;35.84,-46.56,;36,-48.08,;37.51,-48.4,;38.28,-47.07,;37.25,-45.92,;39.81,-46.91,;40.71,-48.16,;42.24,-48,;42.86,-46.59,;41.95,-45.34,;40.42,-45.51,;33.17,-48.09,;34.51,-48.86,;31.85,-48.85,;31.85,-50.39,;33.18,-51.15,;34.51,-50.38,;35.85,-51.14,;33.19,-52.7,;31.85,-53.48,;30.51,-52.71,;30.52,-51.16,;29.18,-50.39,;27.85,-51.16,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.340n/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))
BDBM50577747
PNG
(CHEMBL4872407)
Show SMILES CCCCc1nc(=O)c(C(=O)N2CC[C@H](C2)c2ccccc2)c(O)n1-c1c(OC)cccc1OC |r,wD:14.16,(25.17,-48.11,;26.5,-48.88,;27.83,-48.11,;29.17,-48.87,;30.52,-48.11,;30.52,-46.57,;31.84,-45.8,;31.84,-44.24,;33.17,-46.57,;34.51,-45.79,;34.51,-44.25,;35.84,-46.56,;36,-48.08,;37.51,-48.4,;38.28,-47.07,;37.25,-45.92,;39.81,-46.91,;40.71,-48.16,;42.24,-48,;42.86,-46.59,;41.95,-45.34,;40.42,-45.51,;33.17,-48.09,;34.51,-48.86,;31.85,-48.85,;31.85,-50.39,;33.18,-51.15,;34.51,-50.38,;35.85,-51.14,;33.19,-52.7,;31.85,-53.48,;30.51,-52.71,;30.52,-51.16,;29.18,-50.39,;27.85,-51.16,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.260n/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