Found 4 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50544722' 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)) | BDBM50544722
![PNG](/data/jpeg/tenK5054/BindingDB_50544722.png) (CHEMBL4647332)Show SMILES COC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:8.8,(23.73,-48.34,;22.4,-49.11,;21.06,-48.34,;21.06,-46.8,;19.73,-49.12,;18.4,-48.35,;17.06,-49.12,;17.07,-50.66,;15.73,-48.35,;15.73,-46.81,;17.06,-46.04,;17.06,-44.5,;18.39,-43.73,;18.39,-42.2,;17.06,-41.42,;15.72,-42.19,;15.72,-43.74,;14.4,-49.12,;13.06,-48.36,;13.06,-46.82,;11.73,-49.13,;10.32,-48.5,;9.29,-49.65,;7.76,-49.5,;7.13,-48.09,;8.03,-46.85,;7.41,-45.44,;5.6,-47.93,;4.69,-49.18,;5.31,-50.59,;6.85,-50.75,;7.47,-52.16,;6.57,-53.4,;10.06,-50.98,;9.45,-52.39,;10.36,-53.63,;9.74,-55.04,;11.89,-53.46,;11.57,-50.66,)| Show InChI InChI=1S/C29H36N4O6/c1-19(2)18-33-23(27-24(37-3)12-9-13-25(27)38-4)16-22(32-33)29(36)31-21(28(35)30-17-26(34)39-5)15-14-20-10-7-6-8-11-20/h6-13,16,19,21H,14-15,17-18H2,1-5H3,(H,30,35)(H,31,36)/t21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 187 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description Displacement of [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation count... |
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)) | BDBM50544722
![PNG](/data/jpeg/tenK5054/BindingDB_50544722.png) (CHEMBL4647332)Show SMILES COC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:8.8,(23.73,-48.34,;22.4,-49.11,;21.06,-48.34,;21.06,-46.8,;19.73,-49.12,;18.4,-48.35,;17.06,-49.12,;17.07,-50.66,;15.73,-48.35,;15.73,-46.81,;17.06,-46.04,;17.06,-44.5,;18.39,-43.73,;18.39,-42.2,;17.06,-41.42,;15.72,-42.19,;15.72,-43.74,;14.4,-49.12,;13.06,-48.36,;13.06,-46.82,;11.73,-49.13,;10.32,-48.5,;9.29,-49.65,;7.76,-49.5,;7.13,-48.09,;8.03,-46.85,;7.41,-45.44,;5.6,-47.93,;4.69,-49.18,;5.31,-50.59,;6.85,-50.75,;7.47,-52.16,;6.57,-53.4,;10.06,-50.98,;9.45,-52.39,;10.36,-53.63,;9.74,-55.04,;11.89,-53.46,;11.57,-50.66,)| Show InChI InChI=1S/C29H36N4O6/c1-19(2)18-33-23(27-24(37-3)12-9-13-25(27)38-4)16-22(32-33)29(36)31-21(28(35)30-17-26(34)39-5)15-14-20-10-7-6-8-11-20/h6-13,16,19,21H,14-15,17-18H2,1-5H3,(H,30,35)(H,31,36)/t21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 3.09E+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 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)) | BDBM50544722
![PNG](/data/jpeg/tenK5054/BindingDB_50544722.png) (CHEMBL4647332)Show SMILES COC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:8.8,(23.73,-48.34,;22.4,-49.11,;21.06,-48.34,;21.06,-46.8,;19.73,-49.12,;18.4,-48.35,;17.06,-49.12,;17.07,-50.66,;15.73,-48.35,;15.73,-46.81,;17.06,-46.04,;17.06,-44.5,;18.39,-43.73,;18.39,-42.2,;17.06,-41.42,;15.72,-42.19,;15.72,-43.74,;14.4,-49.12,;13.06,-48.36,;13.06,-46.82,;11.73,-49.13,;10.32,-48.5,;9.29,-49.65,;7.76,-49.5,;7.13,-48.09,;8.03,-46.85,;7.41,-45.44,;5.6,-47.93,;4.69,-49.18,;5.31,-50.59,;6.85,-50.75,;7.47,-52.16,;6.57,-53.4,;10.06,-50.98,;9.45,-52.39,;10.36,-53.63,;9.74,-55.04,;11.89,-53.46,;11.57,-50.66,)| Show InChI InChI=1S/C29H36N4O6/c1-19(2)18-33-23(27-24(37-3)12-9-13-25(27)38-4)16-22(32-33)29(36)31-21(28(35)30-17-26(34)39-5)15-14-20-10-7-6-8-11-20/h6-13,16,19,21H,14-15,17-18H2,1-5H3,(H,30,35)(H,31,36)/t21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 2.33E+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)) | BDBM50544722
![PNG](/data/jpeg/tenK5054/BindingDB_50544722.png) (CHEMBL4647332)Show SMILES COC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:8.8,(23.73,-48.34,;22.4,-49.11,;21.06,-48.34,;21.06,-46.8,;19.73,-49.12,;18.4,-48.35,;17.06,-49.12,;17.07,-50.66,;15.73,-48.35,;15.73,-46.81,;17.06,-46.04,;17.06,-44.5,;18.39,-43.73,;18.39,-42.2,;17.06,-41.42,;15.72,-42.19,;15.72,-43.74,;14.4,-49.12,;13.06,-48.36,;13.06,-46.82,;11.73,-49.13,;10.32,-48.5,;9.29,-49.65,;7.76,-49.5,;7.13,-48.09,;8.03,-46.85,;7.41,-45.44,;5.6,-47.93,;4.69,-49.18,;5.31,-50.59,;6.85,-50.75,;7.47,-52.16,;6.57,-53.4,;10.06,-50.98,;9.45,-52.39,;10.36,-53.63,;9.74,-55.04,;11.89,-53.46,;11.57,-50.66,)| Show InChI InChI=1S/C29H36N4O6/c1-19(2)18-33-23(27-24(37-3)12-9-13-25(27)38-4)16-22(32-33)29(36)31-21(28(35)30-17-26(34)39-5)15-14-20-10-7-6-8-11-20/h6-13,16,19,21H,14-15,17-18H2,1-5H3,(H,30,35)(H,31,36)/t21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 21 | 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 | |