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SMILES: CCOCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)nc3)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 = 50570426   
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)
BDBM50570426
PNG
(CHEMBL4876050)
Show SMILES CCOCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)nc3)o2)c(O)c1-c1c(OC)cccc1OC |(.83,-34.32,;2.17,-35.08,;3.5,-34.31,;4.84,-35.07,;6.17,-34.29,;6.16,-32.75,;7.49,-31.97,;7.49,-30.43,;8.83,-32.74,;10.16,-31.97,;10.31,-30.43,;11.82,-30.11,;12.59,-31.44,;14.13,-31.6,;14.76,-33,;16.28,-33.15,;16.91,-34.55,;16.01,-35.81,;16.64,-37.22,;14.48,-35.65,;13.85,-34.25,;11.57,-32.59,;8.83,-34.28,;10.16,-35.05,;7.5,-35.05,;7.51,-36.59,;6.18,-37.36,;4.85,-36.59,;3.52,-37.36,;6.18,-38.9,;7.51,-39.67,;8.85,-38.9,;8.84,-37.35,;10.18,-36.58,;11.51,-37.35,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.580n/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))
BDBM50570426
PNG
(CHEMBL4876050)
Show SMILES CCOCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)nc3)o2)c(O)c1-c1c(OC)cccc1OC |(.83,-34.32,;2.17,-35.08,;3.5,-34.31,;4.84,-35.07,;6.17,-34.29,;6.16,-32.75,;7.49,-31.97,;7.49,-30.43,;8.83,-32.74,;10.16,-31.97,;10.31,-30.43,;11.82,-30.11,;12.59,-31.44,;14.13,-31.6,;14.76,-33,;16.28,-33.15,;16.91,-34.55,;16.01,-35.81,;16.64,-37.22,;14.48,-35.65,;13.85,-34.25,;11.57,-32.59,;8.83,-34.28,;10.16,-35.05,;7.5,-35.05,;7.51,-36.59,;6.18,-37.36,;4.85,-36.59,;3.52,-37.36,;6.18,-38.9,;7.51,-39.67,;8.85,-38.9,;8.84,-37.35,;10.18,-36.58,;11.51,-37.35,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.170n/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