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SMILES: CCCCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cc3)o2)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 = 50570420   
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)
BDBM50570420
PNG
(CHEMBL4861053)
Show SMILES CCCCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cc3)o2)c(O)c1-c1c(OC)cccc1OC |(36.73,-14.63,;38.06,-15.39,;39.39,-14.61,;40.73,-15.37,;42.06,-14.6,;42.05,-13.06,;43.39,-12.28,;43.38,-10.74,;44.72,-13.05,;46.05,-12.27,;46.21,-10.74,;47.71,-10.42,;48.49,-11.75,;50.02,-11.9,;50.65,-13.31,;49.74,-14.55,;50.37,-15.96,;51.9,-16.12,;52.53,-17.53,;52.81,-14.86,;52.17,-13.46,;47.46,-12.89,;44.73,-14.58,;46.06,-15.36,;43.39,-15.36,;43.4,-16.89,;42.07,-17.66,;40.74,-16.9,;39.41,-17.67,;42.07,-19.21,;43.41,-19.98,;44.74,-19.21,;44.74,-17.66,;46.07,-16.88,;47.4,-17.65,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.20n/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))
BDBM50570420
PNG
(CHEMBL4861053)
Show SMILES CCCCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cc3)o2)c(O)c1-c1c(OC)cccc1OC |(36.73,-14.63,;38.06,-15.39,;39.39,-14.61,;40.73,-15.37,;42.06,-14.6,;42.05,-13.06,;43.39,-12.28,;43.38,-10.74,;44.72,-13.05,;46.05,-12.27,;46.21,-10.74,;47.71,-10.42,;48.49,-11.75,;50.02,-11.9,;50.65,-13.31,;49.74,-14.55,;50.37,-15.96,;51.9,-16.12,;52.53,-17.53,;52.81,-14.86,;52.17,-13.46,;47.46,-12.89,;44.73,-14.58,;46.06,-15.36,;43.39,-15.36,;43.4,-16.89,;42.07,-17.66,;40.74,-16.9,;39.41,-17.67,;42.07,-19.21,;43.41,-19.98,;44.74,-19.21,;44.74,-17.66,;46.07,-16.88,;47.4,-17.65,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.400n/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