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SMILES: COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)Nc1nccs1

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 = 50571401   
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


(Homo sapiens (Human))
BDBM50571401
PNG
(CHEMBL4867710)
Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)Nc1nccs1 |r,wU:23.26,(62.77,-29.2,;63.91,-30.23,;63.59,-31.73,;62.13,-32.21,;61.81,-33.72,;62.97,-34.75,;64.43,-34.27,;65.57,-35.29,;65.26,-36.8,;64.74,-32.77,;66.19,-32.29,;66.67,-30.82,;68.21,-30.82,;68.69,-32.28,;67.44,-33.19,;67.45,-34.73,;66.21,-35.64,;66.68,-37.1,;68.22,-37.1,;68.7,-35.64,;69.11,-29.57,;68.48,-28.17,;70.64,-29.73,;71.55,-28.48,;70.92,-27.08,;71.82,-25.83,;71.19,-24.43,;72.1,-23.18,;71.48,-21.77,;69.95,-21.61,;69.04,-22.85,;69.67,-24.27,;73.08,-28.64,;73.98,-27.4,;73.35,-25.99,;75.51,-27.55,;76.42,-26.31,;77.95,-26.3,;78.42,-24.84,;77.17,-23.93,;75.93,-24.84,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 12n/an/an/an/a


TBA

Assay Description
Agonist activity at human AGTRL1 expressed in CHO-K1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by PathHunter a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01448
BindingDB Entry DOI: 10.7270/Q2TH8RGN
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50571401
PNG
(CHEMBL4867710)
Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)Nc1nccs1 |r,wU:23.26,(62.77,-29.2,;63.91,-30.23,;63.59,-31.73,;62.13,-32.21,;61.81,-33.72,;62.97,-34.75,;64.43,-34.27,;65.57,-35.29,;65.26,-36.8,;64.74,-32.77,;66.19,-32.29,;66.67,-30.82,;68.21,-30.82,;68.69,-32.28,;67.44,-33.19,;67.45,-34.73,;66.21,-35.64,;66.68,-37.1,;68.22,-37.1,;68.7,-35.64,;69.11,-29.57,;68.48,-28.17,;70.64,-29.73,;71.55,-28.48,;70.92,-27.08,;71.82,-25.83,;71.19,-24.43,;72.1,-23.18,;71.48,-21.77,;69.95,-21.61,;69.04,-22.85,;69.67,-24.27,;73.08,-28.64,;73.98,-27.4,;73.35,-25.99,;75.51,-27.55,;76.42,-26.31,;77.95,-26.3,;78.42,-24.84,;77.17,-23.93,;75.93,-24.84,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1n/an/an/an/a


TBA

Assay Description
Agonist activity at human APJ receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 40 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01448
BindingDB Entry DOI: 10.7270/Q2TH8RGN
More data for this
Ligand-Target Pair