BindingDB logo
myBDB logout

null

SMILES: CCCCc1nc(=O)c(C(=O)N2CCC(C2)c2ccc(Cl)cc2)c(O)n1-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 4 hits for monomerid = 50577749   
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))
BDBM50577749
PNG
(CHEMBL4854048)
Show SMILES CCCCc1nc(=O)c(C(=O)N2CCC(C2)c2ccc(Cl)cc2)c(O)n1-c1c(OC)cccc1OC |(66.4,-48.76,;67.73,-49.53,;69.07,-48.76,;70.4,-49.53,;71.75,-48.76,;71.75,-47.22,;73.07,-46.46,;73.07,-44.9,;74.4,-47.22,;75.74,-46.44,;75.74,-44.9,;77.07,-47.21,;77.23,-48.74,;78.74,-49.06,;79.51,-47.72,;78.48,-46.58,;81.04,-47.56,;81.94,-48.81,;83.47,-48.66,;84.1,-47.25,;85.63,-47.09,;83.18,-46,;81.66,-46.16,;74.4,-48.74,;75.74,-49.51,;73.08,-49.51,;73.08,-51.04,;74.41,-51.81,;75.74,-51.03,;77.08,-51.8,;74.42,-53.36,;73.08,-54.13,;71.74,-53.36,;71.75,-51.82,;70.41,-51.05,;69.08,-51.82,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.150n/an/an/an/a


TBA

Assay Description
Agonist activity at human APJ receptor expressed in HEK293T cells assessed as compound stimulated inhibition of forskolin stimulated cAMP production ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00385
BindingDB Entry DOI: 10.7270/Q2M330MF
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50577749
PNG
(CHEMBL4854048)
Show SMILES CCCCc1nc(=O)c(C(=O)N2CCC(C2)c2ccc(Cl)cc2)c(O)n1-c1c(OC)cccc1OC |(66.4,-48.76,;67.73,-49.53,;69.07,-48.76,;70.4,-49.53,;71.75,-48.76,;71.75,-47.22,;73.07,-46.46,;73.07,-44.9,;74.4,-47.22,;75.74,-46.44,;75.74,-44.9,;77.07,-47.21,;77.23,-48.74,;78.74,-49.06,;79.51,-47.72,;78.48,-46.58,;81.04,-47.56,;81.94,-48.81,;83.47,-48.66,;84.1,-47.25,;85.63,-47.09,;83.18,-46,;81.66,-46.16,;74.4,-48.74,;75.74,-49.51,;73.08,-49.51,;73.08,-51.04,;74.41,-51.81,;75.74,-51.03,;77.08,-51.8,;74.42,-53.36,;73.08,-54.13,;71.74,-53.36,;71.75,-51.82,;70.41,-51.05,;69.08,-51.82,)|
PDB

UniProtKB/SwissProt

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 rat APJ receptor expressed in HEK293T cells assessed as compound stimulated inhibition of forskolin stimulated cAMP production in...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00385
BindingDB Entry DOI: 10.7270/Q2M330MF
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50577749
PNG
(CHEMBL4854048)
Show SMILES CCCCc1nc(=O)c(C(=O)N2CCC(C2)c2ccc(Cl)cc2)c(O)n1-c1c(OC)cccc1OC |(66.4,-48.76,;67.73,-49.53,;69.07,-48.76,;70.4,-49.53,;71.75,-48.76,;71.75,-47.22,;73.07,-46.46,;73.07,-44.9,;74.4,-47.22,;75.74,-46.44,;75.74,-44.9,;77.07,-47.21,;77.23,-48.74,;78.74,-49.06,;79.51,-47.72,;78.48,-46.58,;81.04,-47.56,;81.94,-48.81,;83.47,-48.66,;84.1,-47.25,;85.63,-47.09,;83.18,-46,;81.66,-46.16,;74.4,-48.74,;75.74,-49.51,;73.08,-49.51,;73.08,-51.04,;74.41,-51.81,;75.74,-51.03,;77.08,-51.8,;74.42,-53.36,;73.08,-54.13,;71.74,-53.36,;71.75,-51.82,;70.41,-51.05,;69.08,-51.82,)|
PDB

UniProtKB/SwissProt

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 rat APJ receptor expressed in HEK293T cells assessed as compound stimulated inhibition of forskolin stimulated cAMP production in...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00385
BindingDB Entry DOI: 10.7270/Q2M330MF
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50577749
PNG
(CHEMBL4854048)
Show SMILES CCCCc1nc(=O)c(C(=O)N2CCC(C2)c2ccc(Cl)cc2)c(O)n1-c1c(OC)cccc1OC |(66.4,-48.76,;67.73,-49.53,;69.07,-48.76,;70.4,-49.53,;71.75,-48.76,;71.75,-47.22,;73.07,-46.46,;73.07,-44.9,;74.4,-47.22,;75.74,-46.44,;75.74,-44.9,;77.07,-47.21,;77.23,-48.74,;78.74,-49.06,;79.51,-47.72,;78.48,-46.58,;81.04,-47.56,;81.94,-48.81,;83.47,-48.66,;84.1,-47.25,;85.63,-47.09,;83.18,-46,;81.66,-46.16,;74.4,-48.74,;75.74,-49.51,;73.08,-49.51,;73.08,-51.04,;74.41,-51.81,;75.74,-51.03,;77.08,-51.8,;74.42,-53.36,;73.08,-54.13,;71.74,-53.36,;71.75,-51.82,;70.41,-51.05,;69.08,-51.82,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.150n/an/an/an/a


TBA

Assay Description
Agonist activity at human APJ receptor expressed in HEK293T cells assessed as compound stimulated inhibition of forskolin stimulated cAMP production ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00385
BindingDB Entry DOI: 10.7270/Q2M330MF
More data for this
Ligand-Target Pair