Found 3 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50544741' 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)) | BDBM50544741
(CHEMBL4644715)Show SMILES COCCNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:7.7,(81.02,-47.56,;79.69,-48.33,;78.35,-47.57,;77.02,-48.34,;75.69,-47.57,;74.35,-48.34,;74.36,-49.88,;73.02,-47.57,;73.02,-46.03,;74.35,-45.26,;74.35,-43.72,;75.68,-42.95,;75.68,-41.42,;74.35,-40.65,;73.01,-41.42,;73.01,-42.96,;71.69,-48.35,;70.35,-47.58,;70.35,-46.04,;69.02,-48.35,;67.61,-47.73,;66.58,-48.87,;65.05,-48.72,;64.42,-47.31,;65.32,-46.07,;64.7,-44.66,;62.89,-47.15,;61.98,-48.4,;62.6,-49.81,;64.14,-49.97,;64.76,-51.38,;63.86,-52.63,;67.35,-50.21,;66.74,-51.61,;67.65,-52.85,;67.03,-54.26,;69.18,-52.68,;68.86,-49.88,)| Show InChI InChI=1S/C29H38N4O5/c1-20(2)19-33-24(27-25(37-4)12-9-13-26(27)38-5)18-23(32-33)29(35)31-22(28(34)30-16-17-36-3)15-14-21-10-7-6-8-11-21/h6-13,18,20,22H,14-17,19H2,1-5H3,(H,30,34)(H,31,35)/t22-/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 | 411 | 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 | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50544741
(CHEMBL4644715)Show SMILES COCCNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:7.7,(81.02,-47.56,;79.69,-48.33,;78.35,-47.57,;77.02,-48.34,;75.69,-47.57,;74.35,-48.34,;74.36,-49.88,;73.02,-47.57,;73.02,-46.03,;74.35,-45.26,;74.35,-43.72,;75.68,-42.95,;75.68,-41.42,;74.35,-40.65,;73.01,-41.42,;73.01,-42.96,;71.69,-48.35,;70.35,-47.58,;70.35,-46.04,;69.02,-48.35,;67.61,-47.73,;66.58,-48.87,;65.05,-48.72,;64.42,-47.31,;65.32,-46.07,;64.7,-44.66,;62.89,-47.15,;61.98,-48.4,;62.6,-49.81,;64.14,-49.97,;64.76,-51.38,;63.86,-52.63,;67.35,-50.21,;66.74,-51.61,;67.65,-52.85,;67.03,-54.26,;69.18,-52.68,;68.86,-49.88,)| Show InChI InChI=1S/C29H38N4O5/c1-20(2)19-33-24(27-25(37-4)12-9-13-26(27)38-5)18-23(32-33)29(35)31-22(28(34)30-16-17-36-3)15-14-21-10-7-6-8-11-21/h6-13,18,20,22H,14-17,19H2,1-5H3,(H,30,34)(H,31,35)/t22-/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 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)) | BDBM50544741
(CHEMBL4644715)Show SMILES COCCNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:7.7,(81.02,-47.56,;79.69,-48.33,;78.35,-47.57,;77.02,-48.34,;75.69,-47.57,;74.35,-48.34,;74.36,-49.88,;73.02,-47.57,;73.02,-46.03,;74.35,-45.26,;74.35,-43.72,;75.68,-42.95,;75.68,-41.42,;74.35,-40.65,;73.01,-41.42,;73.01,-42.96,;71.69,-48.35,;70.35,-47.58,;70.35,-46.04,;69.02,-48.35,;67.61,-47.73,;66.58,-48.87,;65.05,-48.72,;64.42,-47.31,;65.32,-46.07,;64.7,-44.66,;62.89,-47.15,;61.98,-48.4,;62.6,-49.81,;64.14,-49.97,;64.76,-51.38,;63.86,-52.63,;67.35,-50.21,;66.74,-51.61,;67.65,-52.85,;67.03,-54.26,;69.18,-52.68,;68.86,-49.88,)| Show InChI InChI=1S/C29H38N4O5/c1-20(2)19-33-24(27-25(37-4)12-9-13-26(27)38-5)18-23(32-33)29(35)31-22(28(34)30-16-17-36-3)15-14-21-10-7-6-8-11-21/h6-13,18,20,22H,14-17,19H2,1-5H3,(H,30,34)(H,31,35)/t22-/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 | |
Search and Browse
