Found 3 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50544738' 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)) | BDBM50544738
(CHEMBL4647661)Show SMILES COC(=O)CNC(=O)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:9.9,(23.73,-49.7,;22.39,-48.93,;21.06,-49.7,;21.06,-51.24,;19.73,-48.93,;18.39,-49.71,;17.06,-48.94,;17.06,-47.4,;15.73,-49.71,;14.39,-48.94,;14.39,-47.4,;15.72,-46.63,;15.72,-45.09,;17.05,-44.32,;17.05,-42.79,;15.72,-42.01,;14.38,-42.78,;14.38,-44.33,;13.06,-49.72,;11.72,-48.95,;11.72,-47.41,;10.39,-49.72,;8.98,-49.1,;7.95,-50.24,;6.42,-50.09,;5.79,-48.68,;6.7,-47.44,;6.07,-46.03,;4.26,-48.52,;3.35,-49.77,;3.98,-51.18,;5.51,-51.34,;6.14,-52.75,;5.23,-53.99,;8.73,-51.57,;8.11,-52.98,;9.02,-54.22,;8.4,-55.63,;10.55,-54.05,;10.23,-51.25,)| Show InChI InChI=1S/C30H44N4O6/c1-20(2)19-34-24(29-25(38-3)12-9-13-26(29)39-4)17-23(33-34)30(37)32-22(15-14-21-10-7-6-8-11-21)16-27(35)31-18-28(36)40-5/h9,12-13,17,20-22H,6-8,10-11,14-16,18-19H2,1-5H3,(H,31,35)(H,32,37)/t22-/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 | 280 | 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)) | BDBM50544738
(CHEMBL4647661)Show SMILES COC(=O)CNC(=O)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:9.9,(23.73,-49.7,;22.39,-48.93,;21.06,-49.7,;21.06,-51.24,;19.73,-48.93,;18.39,-49.71,;17.06,-48.94,;17.06,-47.4,;15.73,-49.71,;14.39,-48.94,;14.39,-47.4,;15.72,-46.63,;15.72,-45.09,;17.05,-44.32,;17.05,-42.79,;15.72,-42.01,;14.38,-42.78,;14.38,-44.33,;13.06,-49.72,;11.72,-48.95,;11.72,-47.41,;10.39,-49.72,;8.98,-49.1,;7.95,-50.24,;6.42,-50.09,;5.79,-48.68,;6.7,-47.44,;6.07,-46.03,;4.26,-48.52,;3.35,-49.77,;3.98,-51.18,;5.51,-51.34,;6.14,-52.75,;5.23,-53.99,;8.73,-51.57,;8.11,-52.98,;9.02,-54.22,;8.4,-55.63,;10.55,-54.05,;10.23,-51.25,)| Show InChI InChI=1S/C30H44N4O6/c1-20(2)19-34-24(29-25(38-3)12-9-13-26(29)39-4)17-23(33-34)30(37)32-22(15-14-21-10-7-6-8-11-21)16-27(35)31-18-28(36)40-5/h9,12-13,17,20-22H,6-8,10-11,14-16,18-19H2,1-5H3,(H,31,35)(H,32,37)/t22-/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 | 684 | 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)) | BDBM50544738
(CHEMBL4647661)Show SMILES COC(=O)CNC(=O)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:9.9,(23.73,-49.7,;22.39,-48.93,;21.06,-49.7,;21.06,-51.24,;19.73,-48.93,;18.39,-49.71,;17.06,-48.94,;17.06,-47.4,;15.73,-49.71,;14.39,-48.94,;14.39,-47.4,;15.72,-46.63,;15.72,-45.09,;17.05,-44.32,;17.05,-42.79,;15.72,-42.01,;14.38,-42.78,;14.38,-44.33,;13.06,-49.72,;11.72,-48.95,;11.72,-47.41,;10.39,-49.72,;8.98,-49.1,;7.95,-50.24,;6.42,-50.09,;5.79,-48.68,;6.7,-47.44,;6.07,-46.03,;4.26,-48.52,;3.35,-49.77,;3.98,-51.18,;5.51,-51.34,;6.14,-52.75,;5.23,-53.99,;8.73,-51.57,;8.11,-52.98,;9.02,-54.22,;8.4,-55.63,;10.55,-54.05,;10.23,-51.25,)| Show InChI InChI=1S/C30H44N4O6/c1-20(2)19-34-24(29-25(38-3)12-9-13-26(29)39-4)17-23(33-34)30(37)32-22(15-14-21-10-7-6-8-11-21)16-27(35)31-18-28(36)40-5/h9,12-13,17,20-22H,6-8,10-11,14-16,18-19H2,1-5H3,(H,31,35)(H,32,37)/t22-/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 | 288 | 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 | |
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