Found 3 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50544748' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Apelin receptor
(Homo sapiens (Human)) | BDBM50544748
(CHEMBL4649298)Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(N)=O |r,wU:22.24,(66.47,-26.21,;67.1,-27.62,;66.19,-28.87,;64.67,-28.7,;63.75,-29.95,;64.38,-31.36,;65.91,-31.52,;66.54,-32.93,;65.63,-34.18,;66.82,-30.27,;68.36,-30.42,;69.38,-29.28,;70.79,-29.9,;70.63,-31.43,;69.13,-31.76,;68.51,-33.16,;69.42,-34.4,;68.8,-35.81,;70.95,-34.23,;72.12,-29.13,;72.12,-27.59,;73.46,-29.9,;74.79,-29.13,;74.79,-27.59,;76.12,-26.81,;76.12,-25.27,;77.45,-24.51,;77.45,-22.97,;76.12,-22.2,;74.79,-22.97,;74.78,-24.51,;76.13,-29.89,;77.46,-29.12,;78.79,-29.89,;77.46,-27.58,)| Show InChI InChI=1S/C27H40N4O4/c1-18(2)17-31-22(26-23(34-3)11-8-12-24(26)35-4)16-21(30-31)27(33)29-20(15-25(28)32)14-13-19-9-6-5-7-10-19/h8,11-12,16,18-20H,5-7,9-10,13-15,17H2,1-4H3,(H2,28,32)(H,29,33)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.24E+3 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor stably expressed in CHOK1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by ... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50544748
(CHEMBL4649298)Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(N)=O |r,wU:22.24,(66.47,-26.21,;67.1,-27.62,;66.19,-28.87,;64.67,-28.7,;63.75,-29.95,;64.38,-31.36,;65.91,-31.52,;66.54,-32.93,;65.63,-34.18,;66.82,-30.27,;68.36,-30.42,;69.38,-29.28,;70.79,-29.9,;70.63,-31.43,;69.13,-31.76,;68.51,-33.16,;69.42,-34.4,;68.8,-35.81,;70.95,-34.23,;72.12,-29.13,;72.12,-27.59,;73.46,-29.9,;74.79,-29.13,;74.79,-27.59,;76.12,-26.81,;76.12,-25.27,;77.45,-24.51,;77.45,-22.97,;76.12,-22.2,;74.79,-22.97,;74.78,-24.51,;76.13,-29.89,;77.46,-29.12,;78.79,-29.89,;77.46,-27.58,)| Show InChI InChI=1S/C27H40N4O4/c1-18(2)17-31-22(26-23(34-3)11-8-12-24(26)35-4)16-21(30-31)27(33)29-20(15-25(28)32)14-13-19-9-6-5-7-10-19/h8,11-12,16,18-20H,5-7,9-10,13-15,17H2,1-4H3,(H2,28,32)(H,29,33)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 ... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50544748
(CHEMBL4649298)Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(N)=O |r,wU:22.24,(66.47,-26.21,;67.1,-27.62,;66.19,-28.87,;64.67,-28.7,;63.75,-29.95,;64.38,-31.36,;65.91,-31.52,;66.54,-32.93,;65.63,-34.18,;66.82,-30.27,;68.36,-30.42,;69.38,-29.28,;70.79,-29.9,;70.63,-31.43,;69.13,-31.76,;68.51,-33.16,;69.42,-34.4,;68.8,-35.81,;70.95,-34.23,;72.12,-29.13,;72.12,-27.59,;73.46,-29.9,;74.79,-29.13,;74.79,-27.59,;76.12,-26.81,;76.12,-25.27,;77.45,-24.51,;77.45,-22.97,;76.12,-22.2,;74.79,-22.97,;74.78,-24.51,;76.13,-29.89,;77.46,-29.12,;78.79,-29.89,;77.46,-27.58,)| Show InChI InChI=1S/C27H40N4O4/c1-18(2)17-31-22(26-23(34-3)11-8-12-24(26)35-4)16-21(30-31)27(33)29-20(15-25(28)32)14-13-19-9-6-5-7-10-19/h8,11-12,16,18-20H,5-7,9-10,13-15,17H2,1-4H3,(H2,28,32)(H,29,33)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.75E+3 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells co-expressing Galphaq16 assessed as increase in intracellular calcium mobilizati... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX |
More data for this
Ligand-Target Pair | |
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