Found 3 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50544743' 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)) | BDBM50544743
(CHEMBL4647813)Show SMILES COc1cccc(OC)c1-c1cc(nn1C)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:19.21,(40.39,-35.41,;41.02,-36.82,;40.12,-38.07,;38.59,-37.91,;37.68,-39.15,;38.3,-40.56,;39.83,-40.73,;40.46,-42.13,;39.55,-43.38,;40.74,-39.47,;42.28,-39.62,;43.31,-38.48,;44.71,-39.1,;44.56,-40.63,;43.05,-40.96,;42.43,-42.36,;46.05,-38.33,;46.04,-36.79,;47.38,-39.1,;48.71,-38.33,;48.71,-36.79,;50.04,-36.01,;50.04,-34.47,;51.37,-33.71,;51.37,-32.17,;50.04,-31.4,;48.71,-32.17,;48.7,-33.71,;50.05,-39.09,;51.38,-38.32,;52.72,-39.09,;51.38,-36.78,)| Show InChI InChI=1S/C24H33N3O5/c1-27-19(23-20(31-2)10-7-11-21(23)32-3)15-18(26-27)24(30)25-17(14-22(28)29)13-12-16-8-5-4-6-9-16/h7,10-11,15-17H,4-6,8-9,12-14H2,1-3H3,(H,25,30)(H,28,29)/t17-/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 | 9.94E+3 | 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)) | BDBM50544743
(CHEMBL4647813)Show SMILES COc1cccc(OC)c1-c1cc(nn1C)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:19.21,(40.39,-35.41,;41.02,-36.82,;40.12,-38.07,;38.59,-37.91,;37.68,-39.15,;38.3,-40.56,;39.83,-40.73,;40.46,-42.13,;39.55,-43.38,;40.74,-39.47,;42.28,-39.62,;43.31,-38.48,;44.71,-39.1,;44.56,-40.63,;43.05,-40.96,;42.43,-42.36,;46.05,-38.33,;46.04,-36.79,;47.38,-39.1,;48.71,-38.33,;48.71,-36.79,;50.04,-36.01,;50.04,-34.47,;51.37,-33.71,;51.37,-32.17,;50.04,-31.4,;48.71,-32.17,;48.7,-33.71,;50.05,-39.09,;51.38,-38.32,;52.72,-39.09,;51.38,-36.78,)| Show InChI InChI=1S/C24H33N3O5/c1-27-19(23-20(31-2)10-7-11-21(23)32-3)15-18(26-27)24(30)25-17(14-22(28)29)13-12-16-8-5-4-6-9-16/h7,10-11,15-17H,4-6,8-9,12-14H2,1-3H3,(H,25,30)(H,28,29)/t17-/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 | 1.46E+3 | 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)) | BDBM50544743
(CHEMBL4647813)Show SMILES COc1cccc(OC)c1-c1cc(nn1C)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:19.21,(40.39,-35.41,;41.02,-36.82,;40.12,-38.07,;38.59,-37.91,;37.68,-39.15,;38.3,-40.56,;39.83,-40.73,;40.46,-42.13,;39.55,-43.38,;40.74,-39.47,;42.28,-39.62,;43.31,-38.48,;44.71,-39.1,;44.56,-40.63,;43.05,-40.96,;42.43,-42.36,;46.05,-38.33,;46.04,-36.79,;47.38,-39.1,;48.71,-38.33,;48.71,-36.79,;50.04,-36.01,;50.04,-34.47,;51.37,-33.71,;51.37,-32.17,;50.04,-31.4,;48.71,-32.17,;48.7,-33.71,;50.05,-39.09,;51.38,-38.32,;52.72,-39.09,;51.38,-36.78,)| Show InChI InChI=1S/C24H33N3O5/c1-27-19(23-20(31-2)10-7-11-21(23)32-3)15-18(26-27)24(30)25-17(14-22(28)29)13-12-16-8-5-4-6-9-16/h7,10-11,15-17H,4-6,8-9,12-14H2,1-3H3,(H,25,30)(H,28,29)/t17-/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 | 2.55E+3 | 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 | |
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