Found 4 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM422160' 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)) | BDBM422160
(N-[4-(4-{[2-butyl-1- (2,6-dimethoxyphenyl)- 6-hydr...)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccnc(NC(=O)C2CC2)c1 |(-10.77,.77,;-9.44,,;-8.11,.77,;-6.77,,;-5.44,.77,;-5.44,2.31,;-4.1,3.08,;-4.1,4.62,;-2.77,2.31,;-2.77,.77,;-1.44,,;-4.1,,;-4.1,-1.54,;-5.44,-2.31,;-6.77,-1.54,;-8.11,-2.31,;-5.44,-3.85,;-4.1,-4.62,;-2.77,-3.85,;-2.77,-2.31,;-1.44,-1.54,;-.1,-2.31,;-1.44,3.08,;-2.21,4.41,;-.67,4.41,;-.1,2.31,;-.1,.77,;1.23,,;2.56,.77,;2.56,2.31,;1.23,3.08,;3.9,,;3.9,-1.54,;5.23,-2.31,;6.57,-1.54,;6.57,,;7.9,.77,;7.9,2.31,;6.57,3.08,;9.23,3.08,;10.77,3.08,;10,4.41,;5.23,.77,)| Show InChI InChI=1S/C31H32N4O7S/c1-4-5-9-26-34-30(37)28(31(38)35(26)27-23(41-2)7-6-8-24(27)42-3)43(39,40)22-14-12-19(13-15-22)21-16-17-32-25(18-21)33-29(36)20-10-11-20/h6-8,12-18,20,38H,4-5,9-11H2,1-3H3,(H,32,33,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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) | BDBM422160
(N-[4-(4-{[2-butyl-1- (2,6-dimethoxyphenyl)- 6-hydr...)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccnc(NC(=O)C2CC2)c1 |(-10.77,.77,;-9.44,,;-8.11,.77,;-6.77,,;-5.44,.77,;-5.44,2.31,;-4.1,3.08,;-4.1,4.62,;-2.77,2.31,;-2.77,.77,;-1.44,,;-4.1,,;-4.1,-1.54,;-5.44,-2.31,;-6.77,-1.54,;-8.11,-2.31,;-5.44,-3.85,;-4.1,-4.62,;-2.77,-3.85,;-2.77,-2.31,;-1.44,-1.54,;-.1,-2.31,;-1.44,3.08,;-2.21,4.41,;-.67,4.41,;-.1,2.31,;-.1,.77,;1.23,,;2.56,.77,;2.56,2.31,;1.23,3.08,;3.9,,;3.9,-1.54,;5.23,-2.31,;6.57,-1.54,;6.57,,;7.9,.77,;7.9,2.31,;6.57,3.08,;9.23,3.08,;10.77,3.08,;10,4.41,;5.23,.77,)| Show InChI InChI=1S/C31H32N4O7S/c1-4-5-9-26-34-30(37)28(31(38)35(26)27-23(41-2)7-6-8-24(27)42-3)43(39,40)22-14-12-19(13-15-22)21-16-17-32-25(18-21)33-29(36)20-10-11-20/h6-8,12-18,20,38H,4-5,9-11H2,1-3H3,(H,32,33,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0400 | 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) | BDBM422160
(N-[4-(4-{[2-butyl-1- (2,6-dimethoxyphenyl)- 6-hydr...)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccnc(NC(=O)C2CC2)c1 |(-10.77,.77,;-9.44,,;-8.11,.77,;-6.77,,;-5.44,.77,;-5.44,2.31,;-4.1,3.08,;-4.1,4.62,;-2.77,2.31,;-2.77,.77,;-1.44,,;-4.1,,;-4.1,-1.54,;-5.44,-2.31,;-6.77,-1.54,;-8.11,-2.31,;-5.44,-3.85,;-4.1,-4.62,;-2.77,-3.85,;-2.77,-2.31,;-1.44,-1.54,;-.1,-2.31,;-1.44,3.08,;-2.21,4.41,;-.67,4.41,;-.1,2.31,;-.1,.77,;1.23,,;2.56,.77,;2.56,2.31,;1.23,3.08,;3.9,,;3.9,-1.54,;5.23,-2.31,;6.57,-1.54,;6.57,,;7.9,.77,;7.9,2.31,;6.57,3.08,;9.23,3.08,;10.77,3.08,;10,4.41,;5.23,.77,)| Show InChI InChI=1S/C31H32N4O7S/c1-4-5-9-26-34-30(37)28(31(38)35(26)27-23(41-2)7-6-8-24(27)42-3)43(39,40)22-14-12-19(13-15-22)21-16-17-32-25(18-21)33-29(36)20-10-11-20/h6-8,12-18,20,38H,4-5,9-11H2,1-3H3,(H,32,33,36) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0400 | 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)) | BDBM422160
(N-[4-(4-{[2-butyl-1- (2,6-dimethoxyphenyl)- 6-hydr...)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccnc(NC(=O)C2CC2)c1 |(-10.77,.77,;-9.44,,;-8.11,.77,;-6.77,,;-5.44,.77,;-5.44,2.31,;-4.1,3.08,;-4.1,4.62,;-2.77,2.31,;-2.77,.77,;-1.44,,;-4.1,,;-4.1,-1.54,;-5.44,-2.31,;-6.77,-1.54,;-8.11,-2.31,;-5.44,-3.85,;-4.1,-4.62,;-2.77,-3.85,;-2.77,-2.31,;-1.44,-1.54,;-.1,-2.31,;-1.44,3.08,;-2.21,4.41,;-.67,4.41,;-.1,2.31,;-.1,.77,;1.23,,;2.56,.77,;2.56,2.31,;1.23,3.08,;3.9,,;3.9,-1.54,;5.23,-2.31,;6.57,-1.54,;6.57,,;7.9,.77,;7.9,2.31,;6.57,3.08,;9.23,3.08,;10.77,3.08,;10,4.41,;5.23,.77,)| Show InChI InChI=1S/C31H32N4O7S/c1-4-5-9-26-34-30(37)28(31(38)35(26)27-23(41-2)7-6-8-24(27)42-3)43(39,40)22-14-12-19(13-15-22)21-16-17-32-25(18-21)33-29(36)20-10-11-20/h6-8,12-18,20,38H,4-5,9-11H2,1-3H3,(H,32,33,36) | 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 | 0.0300 | 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 | |