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SMILES: CCCCc1[nH]c(=O)c(-c2nnc(o2)-c2ccc(Cl)cc2)c(O)c1-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 = 50570421   
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)
BDBM50570421
PNG
(CHEMBL4878068)
Show SMILES CCCCc1[nH]c(=O)c(-c2nnc(o2)-c2ccc(Cl)cc2)c(O)c1-c1c(OC)cccc1OC |(53.34,-14.22,;54.68,-14.98,;56.01,-14.2,;57.35,-14.96,;58.68,-14.19,;58.67,-12.65,;60,-11.87,;60,-10.33,;61.34,-12.63,;62.67,-11.86,;62.82,-10.33,;64.33,-10,;65.1,-11.34,;64.08,-12.48,;66.64,-11.49,;67.26,-12.9,;68.79,-13.06,;69.69,-11.81,;71.22,-11.97,;69.05,-10.4,;67.53,-10.25,;61.34,-14.17,;62.67,-14.95,;60.01,-14.95,;60.02,-16.48,;58.69,-17.25,;57.36,-16.49,;56.03,-17.26,;58.69,-18.8,;60.02,-19.57,;61.36,-18.8,;61.35,-17.24,;62.69,-16.47,;64.02,-17.24,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 450n/an/an/an/a


TBA

Assay Description
Agonist activity at rat APJ receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 1 hr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01878
BindingDB Entry DOI: 10.7270/Q20G3PXZ
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50570421
PNG
(CHEMBL4878068)
Show SMILES CCCCc1[nH]c(=O)c(-c2nnc(o2)-c2ccc(Cl)cc2)c(O)c1-c1c(OC)cccc1OC |(53.34,-14.22,;54.68,-14.98,;56.01,-14.2,;57.35,-14.96,;58.68,-14.19,;58.67,-12.65,;60,-11.87,;60,-10.33,;61.34,-12.63,;62.67,-11.86,;62.82,-10.33,;64.33,-10,;65.1,-11.34,;64.08,-12.48,;66.64,-11.49,;67.26,-12.9,;68.79,-13.06,;69.69,-11.81,;71.22,-11.97,;69.05,-10.4,;67.53,-10.25,;61.34,-14.17,;62.67,-14.95,;60.01,-14.95,;60.02,-16.48,;58.69,-17.25,;57.36,-16.49,;56.03,-17.26,;58.69,-18.8,;60.02,-19.57,;61.36,-18.8,;61.35,-17.24,;62.69,-16.47,;64.02,-17.24,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 180n/an/an/an/a


TBA

Assay Description
Agonist activity at human APJ receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 1 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01878
BindingDB Entry DOI: 10.7270/Q20G3PXZ
More data for this
Ligand-Target Pair