Found 3 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50544752' 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)) | BDBM50544752
(CHEMBL4642566)Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:24.27,(64.81,-5.23,;65.44,-6.63,;64.54,-7.88,;63.01,-7.72,;62.09,-8.97,;62.71,-10.37,;64.25,-10.54,;64.88,-11.95,;63.97,-13.19,;65.16,-9.29,;66.7,-9.44,;67.73,-8.29,;69.14,-8.92,;68.98,-10.45,;67.47,-10.77,;66.85,-12.18,;65.33,-12.34,;64.71,-13.74,;65.61,-14.97,;67.14,-14.81,;67.77,-13.4,;70.47,-8.14,;70.47,-6.6,;71.8,-8.92,;73.13,-8.14,;73.13,-6.6,;74.46,-5.83,;74.46,-4.29,;75.79,-3.52,;75.79,-1.99,;74.46,-1.21,;73.13,-1.98,;73.12,-3.53,;74.47,-8.91,;75.8,-8.13,;77.14,-8.91,;75.8,-6.59,)| Show InChI InChI=1S/C29H41N3O5/c1-36-25-14-9-15-26(37-2)28(25)24-19-23(31-32(24)22-12-7-4-8-13-22)29(35)30-21(18-27(33)34)17-16-20-10-5-3-6-11-20/h9,14-15,19-22H,3-8,10-13,16-18H2,1-2H3,(H,30,35)(H,33,34)/t21-/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 | 3.26E+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)) | BDBM50544752
(CHEMBL4642566)Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:24.27,(64.81,-5.23,;65.44,-6.63,;64.54,-7.88,;63.01,-7.72,;62.09,-8.97,;62.71,-10.37,;64.25,-10.54,;64.88,-11.95,;63.97,-13.19,;65.16,-9.29,;66.7,-9.44,;67.73,-8.29,;69.14,-8.92,;68.98,-10.45,;67.47,-10.77,;66.85,-12.18,;65.33,-12.34,;64.71,-13.74,;65.61,-14.97,;67.14,-14.81,;67.77,-13.4,;70.47,-8.14,;70.47,-6.6,;71.8,-8.92,;73.13,-8.14,;73.13,-6.6,;74.46,-5.83,;74.46,-4.29,;75.79,-3.52,;75.79,-1.99,;74.46,-1.21,;73.13,-1.98,;73.12,-3.53,;74.47,-8.91,;75.8,-8.13,;77.14,-8.91,;75.8,-6.59,)| Show InChI InChI=1S/C29H41N3O5/c1-36-25-14-9-15-26(37-2)28(25)24-19-23(31-32(24)22-12-7-4-8-13-22)29(35)30-21(18-27(33)34)17-16-20-10-5-3-6-11-20/h9,14-15,19-22H,3-8,10-13,16-18H2,1-2H3,(H,30,35)(H,33,34)/t21-/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 | 380 | 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)) | BDBM50544752
(CHEMBL4642566)Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:24.27,(64.81,-5.23,;65.44,-6.63,;64.54,-7.88,;63.01,-7.72,;62.09,-8.97,;62.71,-10.37,;64.25,-10.54,;64.88,-11.95,;63.97,-13.19,;65.16,-9.29,;66.7,-9.44,;67.73,-8.29,;69.14,-8.92,;68.98,-10.45,;67.47,-10.77,;66.85,-12.18,;65.33,-12.34,;64.71,-13.74,;65.61,-14.97,;67.14,-14.81,;67.77,-13.4,;70.47,-8.14,;70.47,-6.6,;71.8,-8.92,;73.13,-8.14,;73.13,-6.6,;74.46,-5.83,;74.46,-4.29,;75.79,-3.52,;75.79,-1.99,;74.46,-1.21,;73.13,-1.98,;73.12,-3.53,;74.47,-8.91,;75.8,-8.13,;77.14,-8.91,;75.8,-6.59,)| Show InChI InChI=1S/C29H41N3O5/c1-36-25-14-9-15-26(37-2)28(25)24-19-23(31-32(24)22-12-7-4-8-13-22)29(35)30-21(18-27(33)34)17-16-20-10-5-3-6-11-20/h9,14-15,19-22H,3-8,10-13,16-18H2,1-2H3,(H,30,35)(H,33,34)/t21-/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 | 518 | 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 | |