Found 3 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50544751' 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)) | BDBM50544751
(CHEMBL4647486)Show SMILES COc1cccc(OC)c1-c1cc(nn1CC1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:25.28,(8.69,-25.46,;9.32,-26.86,;8.41,-28.11,;6.89,-27.95,;5.97,-29.2,;6.6,-30.61,;8.13,-30.77,;8.76,-32.18,;7.85,-33.42,;9.04,-29.52,;10.58,-29.67,;11.6,-28.52,;13.01,-29.15,;12.85,-30.68,;11.35,-31,;10.73,-32.41,;11.64,-33.65,;11.01,-35.05,;11.92,-36.29,;13.45,-36.13,;14.07,-34.72,;13.16,-33.47,;14.34,-28.38,;14.34,-26.84,;15.68,-29.14,;17.01,-28.37,;17.01,-26.83,;18.34,-26.06,;18.34,-24.52,;19.67,-23.75,;19.67,-22.22,;18.34,-21.44,;17.01,-22.21,;17,-23.76,;18.35,-29.14,;19.68,-28.37,;21.01,-29.13,;19.68,-26.83,)| Show InChI InChI=1S/C30H43N3O5/c1-37-26-14-9-15-27(38-2)29(26)25-19-24(32-33(25)20-22-12-7-4-8-13-22)30(36)31-23(18-28(34)35)17-16-21-10-5-3-6-11-21/h9,14-15,19,21-23H,3-8,10-13,16-18,20H2,1-2H3,(H,31,36)(H,34,35)/t23-/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)) | BDBM50544751
(CHEMBL4647486)Show SMILES COc1cccc(OC)c1-c1cc(nn1CC1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:25.28,(8.69,-25.46,;9.32,-26.86,;8.41,-28.11,;6.89,-27.95,;5.97,-29.2,;6.6,-30.61,;8.13,-30.77,;8.76,-32.18,;7.85,-33.42,;9.04,-29.52,;10.58,-29.67,;11.6,-28.52,;13.01,-29.15,;12.85,-30.68,;11.35,-31,;10.73,-32.41,;11.64,-33.65,;11.01,-35.05,;11.92,-36.29,;13.45,-36.13,;14.07,-34.72,;13.16,-33.47,;14.34,-28.38,;14.34,-26.84,;15.68,-29.14,;17.01,-28.37,;17.01,-26.83,;18.34,-26.06,;18.34,-24.52,;19.67,-23.75,;19.67,-22.22,;18.34,-21.44,;17.01,-22.21,;17,-23.76,;18.35,-29.14,;19.68,-28.37,;21.01,-29.13,;19.68,-26.83,)| Show InChI InChI=1S/C30H43N3O5/c1-37-26-14-9-15-27(38-2)29(26)25-19-24(32-33(25)20-22-12-7-4-8-13-22)30(36)31-23(18-28(34)35)17-16-21-10-5-3-6-11-21/h9,14-15,19,21-23H,3-8,10-13,16-18,20H2,1-2H3,(H,31,36)(H,34,35)/t23-/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)) | BDBM50544751
(CHEMBL4647486)Show SMILES COc1cccc(OC)c1-c1cc(nn1CC1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:25.28,(8.69,-25.46,;9.32,-26.86,;8.41,-28.11,;6.89,-27.95,;5.97,-29.2,;6.6,-30.61,;8.13,-30.77,;8.76,-32.18,;7.85,-33.42,;9.04,-29.52,;10.58,-29.67,;11.6,-28.52,;13.01,-29.15,;12.85,-30.68,;11.35,-31,;10.73,-32.41,;11.64,-33.65,;11.01,-35.05,;11.92,-36.29,;13.45,-36.13,;14.07,-34.72,;13.16,-33.47,;14.34,-28.38,;14.34,-26.84,;15.68,-29.14,;17.01,-28.37,;17.01,-26.83,;18.34,-26.06,;18.34,-24.52,;19.67,-23.75,;19.67,-22.22,;18.34,-21.44,;17.01,-22.21,;17,-23.76,;18.35,-29.14,;19.68,-28.37,;21.01,-29.13,;19.68,-26.83,)| Show InChI InChI=1S/C30H43N3O5/c1-37-26-14-9-15-27(38-2)29(26)25-19-24(32-33(25)20-22-12-7-4-8-13-22)30(36)31-23(18-28(34)35)17-16-21-10-5-3-6-11-21/h9,14-15,19,21-23H,3-8,10-13,16-18,20H2,1-2H3,(H,31,36)(H,34,35)/t23-/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 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 | |