Found 4 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM422138' 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)) | BDBM422138
![PNG](/data/jpeg/tenK42/BindingDB_422138.png) (2-butyl-1-(2,6- dimethoxyphenyl)-6- hydroxy-5-[4-(...)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1cccnc1OC |(-8.67,.77,;-7.34,,;-6,.77,;-4.67,,;-3.33,.77,;-3.33,2.31,;-2,3.08,;-2,4.62,;-.67,2.31,;-.67,.77,;.67,,;-2,,;-2,-1.54,;-3.33,-2.31,;-4.67,-1.54,;-6,-2.31,;-3.33,-3.85,;-2,-4.62,;-.67,-3.85,;-.67,-2.31,;.67,-1.54,;2,-2.31,;.67,3.08,;-.1,4.41,;1.44,4.41,;2,2.31,;2,.77,;3.33,,;4.67,.77,;4.67,2.31,;3.33,3.08,;6,,;7.34,.77,;8.67,,;8.67,-1.54,;7.34,-2.31,;6,-1.54,;4.67,-2.31,;4.67,-3.85,)| Show InChI InChI=1S/C28H29N3O7S/c1-5-6-12-23-30-26(32)25(28(33)31(23)24-21(36-2)10-7-11-22(24)37-3)39(34,35)19-15-13-18(14-16-19)20-9-8-17-29-27(20)38-4/h7-11,13-17,33H,5-6,12H2,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description HEK293 cells stably expressing human APJ receptor were used to assess the activity of compounds. Cultured cells were detached and resuspended in the ... |
US Patent US10508104 (2019)
BindingDB Entry DOI: 10.7270/Q21838WS |
More data for this Ligand-Target Pair | |
Apelin receptor
(Mus musculus) | BDBM422138
![PNG](/data/jpeg/tenK42/BindingDB_422138.png) (2-butyl-1-(2,6- dimethoxyphenyl)-6- hydroxy-5-[4-(...)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1cccnc1OC |(-8.67,.77,;-7.34,,;-6,.77,;-4.67,,;-3.33,.77,;-3.33,2.31,;-2,3.08,;-2,4.62,;-.67,2.31,;-.67,.77,;.67,,;-2,,;-2,-1.54,;-3.33,-2.31,;-4.67,-1.54,;-6,-2.31,;-3.33,-3.85,;-2,-4.62,;-.67,-3.85,;-.67,-2.31,;.67,-1.54,;2,-2.31,;.67,3.08,;-.1,4.41,;1.44,4.41,;2,2.31,;2,.77,;3.33,,;4.67,.77,;4.67,2.31,;3.33,3.08,;6,,;7.34,.77,;8.67,,;8.67,-1.54,;7.34,-2.31,;6,-1.54,;4.67,-2.31,;4.67,-3.85,)| Show InChI InChI=1S/C28H29N3O7S/c1-5-6-12-23-30-26(32)25(28(33)31(23)24-21(36-2)10-7-11-22(24)37-3)39(34,35)19-15-13-18(14-16-19)20-9-8-17-29-27(20)38-4/h7-11,13-17,33H,5-6,12H2,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128325 BindingDB Entry DOI: 10.7270/Q2KD22N4 |
More data for this Ligand-Target Pair | |
Apelin receptor
(Rattus norvegicus) | BDBM422138
![PNG](/data/jpeg/tenK42/BindingDB_422138.png) (2-butyl-1-(2,6- dimethoxyphenyl)-6- hydroxy-5-[4-(...)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1cccnc1OC |(-8.67,.77,;-7.34,,;-6,.77,;-4.67,,;-3.33,.77,;-3.33,2.31,;-2,3.08,;-2,4.62,;-.67,2.31,;-.67,.77,;.67,,;-2,,;-2,-1.54,;-3.33,-2.31,;-4.67,-1.54,;-6,-2.31,;-3.33,-3.85,;-2,-4.62,;-.67,-3.85,;-.67,-2.31,;.67,-1.54,;2,-2.31,;.67,3.08,;-.1,4.41,;1.44,4.41,;2,2.31,;2,.77,;3.33,,;4.67,.77,;4.67,2.31,;3.33,3.08,;6,,;7.34,.77,;8.67,,;8.67,-1.54,;7.34,-2.31,;6,-1.54,;4.67,-2.31,;4.67,-3.85,)| Show InChI InChI=1S/C28H29N3O7S/c1-5-6-12-23-30-26(32)25(28(33)31(23)24-21(36-2)10-7-11-22(24)37-3)39(34,35)19-15-13-18(14-16-19)20-9-8-17-29-27(20)38-4/h7-11,13-17,33H,5-6,12H2,1-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at rat APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128325 BindingDB Entry DOI: 10.7270/Q2KD22N4 |
More data for this Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM422138
![PNG](/data/jpeg/tenK42/BindingDB_422138.png) (2-butyl-1-(2,6- dimethoxyphenyl)-6- hydroxy-5-[4-(...)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1cccnc1OC |(-8.67,.77,;-7.34,,;-6,.77,;-4.67,,;-3.33,.77,;-3.33,2.31,;-2,3.08,;-2,4.62,;-.67,2.31,;-.67,.77,;.67,,;-2,,;-2,-1.54,;-3.33,-2.31,;-4.67,-1.54,;-6,-2.31,;-3.33,-3.85,;-2,-4.62,;-.67,-3.85,;-.67,-2.31,;.67,-1.54,;2,-2.31,;.67,3.08,;-.1,4.41,;1.44,4.41,;2,2.31,;2,.77,;3.33,,;4.67,.77,;4.67,2.31,;3.33,3.08,;6,,;7.34,.77,;8.67,,;8.67,-1.54,;7.34,-2.31,;6,-1.54,;4.67,-2.31,;4.67,-3.85,)| Show InChI InChI=1S/C28H29N3O7S/c1-5-6-12-23-30-26(32)25(28(33)31(23)24-21(36-2)10-7-11-22(24)37-3)39(34,35)19-15-13-18(14-16-19)20-9-8-17-29-27(20)38-4/h7-11,13-17,33H,5-6,12H2,1-4H3 | 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 | 0.0100 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128325 BindingDB Entry DOI: 10.7270/Q2KD22N4 |
More data for this Ligand-Target Pair | |