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SMILES: Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCOCC1)CC(=O)NC1CCC1

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 = 50571386   
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))
BDBM50571386
PNG
(CHEMBL4863277)
Show SMILES Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCOCC1)CC(=O)NC1CCC1 |r,wU:24.26,(81.45,-37.46,;71.97,-34.84,;73.11,-35.87,;72.79,-37.37,;71.33,-37.85,;71.01,-39.36,;72.17,-40.39,;73.63,-39.91,;74.77,-40.93,;74.46,-42.44,;73.94,-38.4,;75.39,-37.93,;75.87,-36.46,;77.41,-36.46,;77.89,-37.92,;76.64,-38.83,;76.65,-40.37,;75.41,-41.27,;75.88,-42.74,;77.42,-42.74,;77.9,-41.27,;78.31,-35.21,;77.68,-33.81,;79.84,-35.37,;80.75,-34.12,;80.12,-32.72,;81.02,-31.47,;80.39,-30.06,;81.31,-28.81,;80.68,-27.41,;79.15,-27.25,;78.24,-28.49,;78.87,-29.91,;82.28,-34.28,;83.18,-33.03,;82.55,-31.63,;84.71,-33.19,;85.62,-31.95,;87.13,-31.7,;86.89,-30.18,;85.37,-30.43,)|
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.35E+3n/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))
BDBM50571386
PNG
(CHEMBL4863277)
Show SMILES Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCOCC1)CC(=O)NC1CCC1 |r,wU:24.26,(81.45,-37.46,;71.97,-34.84,;73.11,-35.87,;72.79,-37.37,;71.33,-37.85,;71.01,-39.36,;72.17,-40.39,;73.63,-39.91,;74.77,-40.93,;74.46,-42.44,;73.94,-38.4,;75.39,-37.93,;75.87,-36.46,;77.41,-36.46,;77.89,-37.92,;76.64,-38.83,;76.65,-40.37,;75.41,-41.27,;75.88,-42.74,;77.42,-42.74,;77.9,-41.27,;78.31,-35.21,;77.68,-33.81,;79.84,-35.37,;80.75,-34.12,;80.12,-32.72,;81.02,-31.47,;80.39,-30.06,;81.31,-28.81,;80.68,-27.41,;79.15,-27.25,;78.24,-28.49,;78.87,-29.91,;82.28,-34.28,;83.18,-33.03,;82.55,-31.63,;84.71,-33.19,;85.62,-31.95,;87.13,-31.7,;86.89,-30.18,;85.37,-30.43,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 237n/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