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SMILES: CCCCc1[nH]c(=O)c(C(=O)OCC)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 = 50570414   
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)
BDBM50570414
PNG
(CHEMBL4861181)
Show SMILES CCCCc1[nH]c(=O)c(C(=O)OCC)c(O)c1-c1c(OC)cccc1OC |(.82,-4.56,;2.16,-5.33,;3.49,-4.55,;4.82,-5.31,;6.15,-4.53,;6.14,-3,;7.48,-2.21,;7.47,-.67,;8.81,-2.98,;10.15,-2.21,;10.14,-.67,;11.48,-2.98,;12.81,-2.2,;14.15,-2.97,;8.82,-4.52,;10.15,-5.29,;7.48,-5.29,;7.49,-6.83,;6.17,-7.6,;4.83,-6.83,;3.5,-7.61,;6.16,-9.14,;7.5,-9.91,;8.83,-9.14,;8.83,-7.59,;10.16,-6.82,;11.5,-7.59,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 980n/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))
BDBM50570414
PNG
(CHEMBL4861181)
Show SMILES CCCCc1[nH]c(=O)c(C(=O)OCC)c(O)c1-c1c(OC)cccc1OC |(.82,-4.56,;2.16,-5.33,;3.49,-4.55,;4.82,-5.31,;6.15,-4.53,;6.14,-3,;7.48,-2.21,;7.47,-.67,;8.81,-2.98,;10.15,-2.21,;10.14,-.67,;11.48,-2.98,;12.81,-2.2,;14.15,-2.97,;8.82,-4.52,;10.15,-5.29,;7.48,-5.29,;7.49,-6.83,;6.17,-7.6,;4.83,-6.83,;3.5,-7.61,;6.16,-9.14,;7.5,-9.91,;8.83,-9.14,;8.83,-7.59,;10.16,-6.82,;11.5,-7.59,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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 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