Found 3 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50544740' 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)) | BDBM50544740
(CHEMBL4637028)Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCc1ccccc1)CC(O)=O |r,wU:22.24,(6.83,-26.11,;7.46,-27.52,;6.55,-28.76,;5.03,-28.6,;4.11,-29.85,;4.74,-31.26,;6.27,-31.42,;6.9,-32.83,;5.99,-34.08,;7.18,-30.17,;8.72,-30.32,;9.75,-29.18,;11.15,-29.8,;10.99,-31.33,;9.49,-31.66,;8.87,-33.06,;9.78,-34.3,;9.16,-35.71,;11.31,-34.13,;12.49,-29.03,;12.48,-27.49,;13.82,-29.8,;15.15,-29.02,;15.15,-27.48,;16.48,-26.71,;16.48,-25.17,;17.81,-24.4,;17.81,-22.87,;16.48,-22.1,;15.15,-22.87,;15.14,-24.41,;16.49,-29.79,;17.82,-29.02,;19.16,-29.79,;17.82,-27.48,)| Show InChI InChI=1S/C27H33N3O5/c1-18(2)17-30-22(26-23(34-3)11-8-12-24(26)35-4)16-21(29-30)27(33)28-20(15-25(31)32)14-13-19-9-6-5-7-10-19/h5-12,16,18,20H,13-15,17H2,1-4H3,(H,28,33)(H,31,32)/t20-/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 | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50544740
(CHEMBL4637028)Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCc1ccccc1)CC(O)=O |r,wU:22.24,(6.83,-26.11,;7.46,-27.52,;6.55,-28.76,;5.03,-28.6,;4.11,-29.85,;4.74,-31.26,;6.27,-31.42,;6.9,-32.83,;5.99,-34.08,;7.18,-30.17,;8.72,-30.32,;9.75,-29.18,;11.15,-29.8,;10.99,-31.33,;9.49,-31.66,;8.87,-33.06,;9.78,-34.3,;9.16,-35.71,;11.31,-34.13,;12.49,-29.03,;12.48,-27.49,;13.82,-29.8,;15.15,-29.02,;15.15,-27.48,;16.48,-26.71,;16.48,-25.17,;17.81,-24.4,;17.81,-22.87,;16.48,-22.1,;15.15,-22.87,;15.14,-24.41,;16.49,-29.79,;17.82,-29.02,;19.16,-29.79,;17.82,-27.48,)| Show InChI InChI=1S/C27H33N3O5/c1-18(2)17-30-22(26-23(34-3)11-8-12-24(26)35-4)16-21(29-30)27(33)28-20(15-25(31)32)14-13-19-9-6-5-7-10-19/h5-12,16,18,20H,13-15,17H2,1-4H3,(H,28,33)(H,31,32)/t20-/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)) | BDBM50544740
(CHEMBL4637028)Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCc1ccccc1)CC(O)=O |r,wU:22.24,(6.83,-26.11,;7.46,-27.52,;6.55,-28.76,;5.03,-28.6,;4.11,-29.85,;4.74,-31.26,;6.27,-31.42,;6.9,-32.83,;5.99,-34.08,;7.18,-30.17,;8.72,-30.32,;9.75,-29.18,;11.15,-29.8,;10.99,-31.33,;9.49,-31.66,;8.87,-33.06,;9.78,-34.3,;9.16,-35.71,;11.31,-34.13,;12.49,-29.03,;12.48,-27.49,;13.82,-29.8,;15.15,-29.02,;15.15,-27.48,;16.48,-26.71,;16.48,-25.17,;17.81,-24.4,;17.81,-22.87,;16.48,-22.1,;15.15,-22.87,;15.14,-24.41,;16.49,-29.79,;17.82,-29.02,;19.16,-29.79,;17.82,-27.48,)| Show InChI InChI=1S/C27H33N3O5/c1-18(2)17-30-22(26-23(34-3)11-8-12-24(26)35-4)16-21(29-30)27(33)28-20(15-25(31)32)14-13-19-9-6-5-7-10-19/h5-12,16,18,20H,13-15,17H2,1-4H3,(H,28,33)(H,31,32)/t20-/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 | |
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