Found 4 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM422140' 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)) | BDBM422140
(1-(2,6- dimethoxyphenyl)-5-[4- (6-fluoropyridin-3-...)Show SMILES COc1cccc(OC)c1-n1c(O)c(c(=O)nc1COC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1 |(-6.67,-2.31,;-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-4,2.31,;-4,.77,;-5.33,,;-6.67,.77,;-8,,;-9.34,.77,;-8,-1.54,;,3.08,;-.77,4.41,;.77,4.41,;1.33,2.31,;1.33,.77,;2.67,,;4,.77,;4,2.31,;2.67,3.08,;5.33,,;5.33,-1.54,;6.67,-2.31,;8,-1.54,;9.34,-2.31,;8,,;6.67,.77,)| Show InChI InChI=1S/C27H26FN3O7S/c1-16(2)38-15-23-30-26(32)25(27(33)31(23)24-20(36-3)6-5-7-21(24)37-4)39(34,35)19-11-8-17(9-12-19)18-10-13-22(28)29-14-18/h5-14,16,33H,15H2,1-4H3 | 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) | BDBM422140
(1-(2,6- dimethoxyphenyl)-5-[4- (6-fluoropyridin-3-...)Show SMILES COc1cccc(OC)c1-n1c(O)c(c(=O)nc1COC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1 |(-6.67,-2.31,;-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-4,2.31,;-4,.77,;-5.33,,;-6.67,.77,;-8,,;-9.34,.77,;-8,-1.54,;,3.08,;-.77,4.41,;.77,4.41,;1.33,2.31,;1.33,.77,;2.67,,;4,.77,;4,2.31,;2.67,3.08,;5.33,,;5.33,-1.54,;6.67,-2.31,;8,-1.54,;9.34,-2.31,;8,,;6.67,.77,)| Show InChI InChI=1S/C27H26FN3O7S/c1-16(2)38-15-23-30-26(32)25(27(33)31(23)24-20(36-3)6-5-7-21(24)37-4)39(34,35)19-11-8-17(9-12-19)18-10-13-22(28)29-14-18/h5-14,16,33H,15H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 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) | BDBM422140
(1-(2,6- dimethoxyphenyl)-5-[4- (6-fluoropyridin-3-...)Show SMILES COc1cccc(OC)c1-n1c(O)c(c(=O)nc1COC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1 |(-6.67,-2.31,;-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-4,2.31,;-4,.77,;-5.33,,;-6.67,.77,;-8,,;-9.34,.77,;-8,-1.54,;,3.08,;-.77,4.41,;.77,4.41,;1.33,2.31,;1.33,.77,;2.67,,;4,.77,;4,2.31,;2.67,3.08,;5.33,,;5.33,-1.54,;6.67,-2.31,;8,-1.54,;9.34,-2.31,;8,,;6.67,.77,)| Show InChI InChI=1S/C27H26FN3O7S/c1-16(2)38-15-23-30-26(32)25(27(33)31(23)24-20(36-3)6-5-7-21(24)37-4)39(34,35)19-11-8-17(9-12-19)18-10-13-22(28)29-14-18/h5-14,16,33H,15H2,1-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| 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)) | BDBM422140
(1-(2,6- dimethoxyphenyl)-5-[4- (6-fluoropyridin-3-...)Show SMILES COc1cccc(OC)c1-n1c(O)c(c(=O)nc1COC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1 |(-6.67,-2.31,;-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-4,2.31,;-4,.77,;-5.33,,;-6.67,.77,;-8,,;-9.34,.77,;-8,-1.54,;,3.08,;-.77,4.41,;.77,4.41,;1.33,2.31,;1.33,.77,;2.67,,;4,.77,;4,2.31,;2.67,3.08,;5.33,,;5.33,-1.54,;6.67,-2.31,;8,-1.54,;9.34,-2.31,;8,,;6.67,.77,)| Show InChI InChI=1S/C27H26FN3O7S/c1-16(2)38-15-23-30-26(32)25(27(33)31(23)24-20(36-3)6-5-7-21(24)37-4)39(34,35)19-11-8-17(9-12-19)18-10-13-22(28)29-14-18/h5-14,16,33H,15H2,1-4H3 | 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 | 0.0100 | 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 | |
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