Found 6 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50544724' 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)) | BDBM50544724
(CHEMBL4641469)Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:23.26,(40.31,-5.59,;40.93,-6.99,;40.03,-8.24,;38.5,-8.08,;37.59,-9.32,;38.21,-10.73,;39.75,-10.9,;40.37,-12.31,;39.47,-13.55,;40.66,-9.64,;42.19,-9.8,;43.22,-8.65,;44.63,-9.28,;44.47,-10.81,;42.96,-11.13,;42.35,-12.54,;40.85,-12.87,;40.69,-14.4,;42.1,-15.01,;43.12,-13.87,;45.96,-8.5,;45.96,-6.96,;47.3,-9.27,;48.63,-8.5,;48.63,-6.96,;49.96,-6.19,;49.96,-4.65,;51.29,-3.88,;51.29,-2.35,;49.96,-1.57,;48.62,-2.34,;48.62,-3.89,;49.96,-9.27,;51.3,-8.49,;52.63,-9.26,;51.29,-6.95,)| Show InChI InChI=1S/C28H39N3O5/c1-35-24-13-8-14-25(36-2)27(24)23-18-22(30-31(23)21-11-6-7-12-21)28(34)29-20(17-26(32)33)16-15-19-9-4-3-5-10-19/h8,13-14,18-21H,3-7,9-12,15-17H2,1-2H3,(H,29,34)(H,32,33)/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 | 2.47E+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)) | BDBM50544724
(CHEMBL4641469)Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:23.26,(40.31,-5.59,;40.93,-6.99,;40.03,-8.24,;38.5,-8.08,;37.59,-9.32,;38.21,-10.73,;39.75,-10.9,;40.37,-12.31,;39.47,-13.55,;40.66,-9.64,;42.19,-9.8,;43.22,-8.65,;44.63,-9.28,;44.47,-10.81,;42.96,-11.13,;42.35,-12.54,;40.85,-12.87,;40.69,-14.4,;42.1,-15.01,;43.12,-13.87,;45.96,-8.5,;45.96,-6.96,;47.3,-9.27,;48.63,-8.5,;48.63,-6.96,;49.96,-6.19,;49.96,-4.65,;51.29,-3.88,;51.29,-2.35,;49.96,-1.57,;48.62,-2.34,;48.62,-3.89,;49.96,-9.27,;51.3,-8.49,;52.63,-9.26,;51.29,-6.95,)| Show InChI InChI=1S/C28H39N3O5/c1-35-24-13-8-14-25(36-2)27(24)23-18-22(30-31(23)21-11-6-7-12-21)28(34)29-20(17-26(32)33)16-15-19-9-4-3-5-10-19/h8,13-14,18-21H,3-7,9-12,15-17H2,1-2H3,(H,29,34)(H,32,33)/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 | 424 | 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)) | BDBM50544724
(CHEMBL4641469)Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:23.26,(40.31,-5.59,;40.93,-6.99,;40.03,-8.24,;38.5,-8.08,;37.59,-9.32,;38.21,-10.73,;39.75,-10.9,;40.37,-12.31,;39.47,-13.55,;40.66,-9.64,;42.19,-9.8,;43.22,-8.65,;44.63,-9.28,;44.47,-10.81,;42.96,-11.13,;42.35,-12.54,;40.85,-12.87,;40.69,-14.4,;42.1,-15.01,;43.12,-13.87,;45.96,-8.5,;45.96,-6.96,;47.3,-9.27,;48.63,-8.5,;48.63,-6.96,;49.96,-6.19,;49.96,-4.65,;51.29,-3.88,;51.29,-2.35,;49.96,-1.57,;48.62,-2.34,;48.62,-3.89,;49.96,-9.27,;51.3,-8.49,;52.63,-9.26,;51.29,-6.95,)| Show InChI InChI=1S/C28H39N3O5/c1-35-24-13-8-14-25(36-2)27(24)23-18-22(30-31(23)21-11-6-7-12-21)28(34)29-20(17-26(32)33)16-15-19-9-4-3-5-10-19/h8,13-14,18-21H,3-7,9-12,15-17H2,1-2H3,(H,29,34)(H,32,33)/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 | 424 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at Galphaq16-fused human APJ receptor expressed in CHO cells assessed as stimulation of Ca2+ mobilization incubated for 1 hr by Calc... |
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)) | BDBM50544724
(CHEMBL4641469)Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:23.26,(40.31,-5.59,;40.93,-6.99,;40.03,-8.24,;38.5,-8.08,;37.59,-9.32,;38.21,-10.73,;39.75,-10.9,;40.37,-12.31,;39.47,-13.55,;40.66,-9.64,;42.19,-9.8,;43.22,-8.65,;44.63,-9.28,;44.47,-10.81,;42.96,-11.13,;42.35,-12.54,;40.85,-12.87,;40.69,-14.4,;42.1,-15.01,;43.12,-13.87,;45.96,-8.5,;45.96,-6.96,;47.3,-9.27,;48.63,-8.5,;48.63,-6.96,;49.96,-6.19,;49.96,-4.65,;51.29,-3.88,;51.29,-2.35,;49.96,-1.57,;48.62,-2.34,;48.62,-3.89,;49.96,-9.27,;51.3,-8.49,;52.63,-9.26,;51.29,-6.95,)| Show InChI InChI=1S/C28H39N3O5/c1-35-24-13-8-14-25(36-2)27(24)23-18-22(30-31(23)21-11-6-7-12-21)28(34)29-20(17-26(32)33)16-15-19-9-4-3-5-10-19/h8,13-14,18-21H,3-7,9-12,15-17H2,1-2H3,(H,29,34)(H,32,33)/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 | 238 | n/a | n/a | n/a | n/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 | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50544724
(CHEMBL4641469)Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:23.26,(40.31,-5.59,;40.93,-6.99,;40.03,-8.24,;38.5,-8.08,;37.59,-9.32,;38.21,-10.73,;39.75,-10.9,;40.37,-12.31,;39.47,-13.55,;40.66,-9.64,;42.19,-9.8,;43.22,-8.65,;44.63,-9.28,;44.47,-10.81,;42.96,-11.13,;42.35,-12.54,;40.85,-12.87,;40.69,-14.4,;42.1,-15.01,;43.12,-13.87,;45.96,-8.5,;45.96,-6.96,;47.3,-9.27,;48.63,-8.5,;48.63,-6.96,;49.96,-6.19,;49.96,-4.65,;51.29,-3.88,;51.29,-2.35,;49.96,-1.57,;48.62,-2.34,;48.62,-3.89,;49.96,-9.27,;51.3,-8.49,;52.63,-9.26,;51.29,-6.95,)| Show InChI InChI=1S/C28H39N3O5/c1-35-24-13-8-14-25(36-2)27(24)23-18-22(30-31(23)21-11-6-7-12-21)28(34)29-20(17-26(32)33)16-15-19-9-4-3-5-10-19/h8,13-14,18-21H,3-7,9-12,15-17H2,1-2H3,(H,29,34)(H,32,33)/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 | 2.47E+3 | n/a | n/a | n/a | n/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)) | BDBM50544724
(CHEMBL4641469)Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:23.26,(40.31,-5.59,;40.93,-6.99,;40.03,-8.24,;38.5,-8.08,;37.59,-9.32,;38.21,-10.73,;39.75,-10.9,;40.37,-12.31,;39.47,-13.55,;40.66,-9.64,;42.19,-9.8,;43.22,-8.65,;44.63,-9.28,;44.47,-10.81,;42.96,-11.13,;42.35,-12.54,;40.85,-12.87,;40.69,-14.4,;42.1,-15.01,;43.12,-13.87,;45.96,-8.5,;45.96,-6.96,;47.3,-9.27,;48.63,-8.5,;48.63,-6.96,;49.96,-6.19,;49.96,-4.65,;51.29,-3.88,;51.29,-2.35,;49.96,-1.57,;48.62,-2.34,;48.62,-3.89,;49.96,-9.27,;51.3,-8.49,;52.63,-9.26,;51.29,-6.95,)| Show InChI InChI=1S/C28H39N3O5/c1-35-24-13-8-14-25(36-2)27(24)23-18-22(30-31(23)21-11-6-7-12-21)28(34)29-20(17-26(32)33)16-15-19-9-4-3-5-10-19/h8,13-14,18-21H,3-7,9-12,15-17H2,1-2H3,(H,29,34)(H,32,33)/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 | 238 | 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 | |
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