Found 7 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50544742' 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)) | BDBM50544742
(CHEMBL4647910)Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:23.26,(36.48,-46.53,;37.11,-47.94,;36.21,-49.19,;34.68,-49.03,;33.77,-50.28,;34.39,-51.69,;35.92,-51.85,;36.55,-53.26,;35.64,-54.5,;36.83,-50.59,;38.37,-50.75,;39.4,-49.6,;40.81,-50.23,;40.65,-51.76,;39.14,-52.08,;38.52,-53.49,;37.03,-53.82,;36.88,-55.34,;38.28,-55.96,;39.31,-54.82,;42.14,-49.45,;42.13,-47.91,;43.47,-50.22,;44.8,-49.45,;44.8,-47.91,;46.13,-47.14,;46.13,-45.6,;47.46,-44.83,;47.46,-43.3,;46.13,-42.52,;44.8,-43.29,;44.79,-44.84,;46.14,-50.22,;47.47,-49.44,;47.47,-47.9,;48.81,-50.22,;50.14,-49.44,;51.63,-49.84,;52.02,-48.35,;50.54,-47.95,)| Show InChI InChI=1S/C32H46N4O4/c1-39-28-16-9-17-29(40-2)31(28)27-21-26(35-36(27)25-14-6-7-15-25)32(38)34-24(19-18-22-10-4-3-5-11-22)20-30(37)33-23-12-8-13-23/h9,16-17,21-25H,3-8,10-15,18-20H2,1-2H3,(H,33,37)(H,34,38)/t24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation count... |
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)) | BDBM50544742
(CHEMBL4647910)Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:23.26,(36.48,-46.53,;37.11,-47.94,;36.21,-49.19,;34.68,-49.03,;33.77,-50.28,;34.39,-51.69,;35.92,-51.85,;36.55,-53.26,;35.64,-54.5,;36.83,-50.59,;38.37,-50.75,;39.4,-49.6,;40.81,-50.23,;40.65,-51.76,;39.14,-52.08,;38.52,-53.49,;37.03,-53.82,;36.88,-55.34,;38.28,-55.96,;39.31,-54.82,;42.14,-49.45,;42.13,-47.91,;43.47,-50.22,;44.8,-49.45,;44.8,-47.91,;46.13,-47.14,;46.13,-45.6,;47.46,-44.83,;47.46,-43.3,;46.13,-42.52,;44.8,-43.29,;44.79,-44.84,;46.14,-50.22,;47.47,-49.44,;47.47,-47.9,;48.81,-50.22,;50.14,-49.44,;51.63,-49.84,;52.02,-48.35,;50.54,-47.95,)| Show InChI InChI=1S/C32H46N4O4/c1-39-28-16-9-17-29(40-2)31(28)27-21-26(35-36(27)25-14-6-7-15-25)32(38)34-24(19-18-22-10-4-3-5-11-22)20-30(37)33-23-12-8-13-23/h9,16-17,21-25H,3-8,10-15,18-20H2,1-2H3,(H,33,37)(H,34,38)/t24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 70 | 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)) | BDBM50544742
(CHEMBL4647910)Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:23.26,(36.48,-46.53,;37.11,-47.94,;36.21,-49.19,;34.68,-49.03,;33.77,-50.28,;34.39,-51.69,;35.92,-51.85,;36.55,-53.26,;35.64,-54.5,;36.83,-50.59,;38.37,-50.75,;39.4,-49.6,;40.81,-50.23,;40.65,-51.76,;39.14,-52.08,;38.52,-53.49,;37.03,-53.82,;36.88,-55.34,;38.28,-55.96,;39.31,-54.82,;42.14,-49.45,;42.13,-47.91,;43.47,-50.22,;44.8,-49.45,;44.8,-47.91,;46.13,-47.14,;46.13,-45.6,;47.46,-44.83,;47.46,-43.3,;46.13,-42.52,;44.8,-43.29,;44.79,-44.84,;46.14,-50.22,;47.47,-49.44,;47.47,-47.9,;48.81,-50.22,;50.14,-49.44,;51.63,-49.84,;52.02,-48.35,;50.54,-47.95,)| Show InChI InChI=1S/C32H46N4O4/c1-39-28-16-9-17-29(40-2)31(28)27-21-26(35-36(27)25-14-6-7-15-25)32(38)34-24(19-18-22-10-4-3-5-11-22)20-30(37)33-23-12-8-13-23/h9,16-17,21-25H,3-8,10-15,18-20H2,1-2H3,(H,33,37)(H,34,38)/t24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at Galphaq16-fused human APJ receptor expressed in CHO cells assessed as stimulation of Ca2+ mobilization incubated for 1 hr by Calc... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01448
BindingDB Entry DOI: 10.7270/Q2TH8RGN |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50544742
(CHEMBL4647910)Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:23.26,(36.48,-46.53,;37.11,-47.94,;36.21,-49.19,;34.68,-49.03,;33.77,-50.28,;34.39,-51.69,;35.92,-51.85,;36.55,-53.26,;35.64,-54.5,;36.83,-50.59,;38.37,-50.75,;39.4,-49.6,;40.81,-50.23,;40.65,-51.76,;39.14,-52.08,;38.52,-53.49,;37.03,-53.82,;36.88,-55.34,;38.28,-55.96,;39.31,-54.82,;42.14,-49.45,;42.13,-47.91,;43.47,-50.22,;44.8,-49.45,;44.8,-47.91,;46.13,-47.14,;46.13,-45.6,;47.46,-44.83,;47.46,-43.3,;46.13,-42.52,;44.8,-43.29,;44.79,-44.84,;46.14,-50.22,;47.47,-49.44,;47.47,-47.9,;48.81,-50.22,;50.14,-49.44,;51.63,-49.84,;52.02,-48.35,;50.54,-47.95,)| Show InChI InChI=1S/C32H46N4O4/c1-39-28-16-9-17-29(40-2)31(28)27-21-26(35-36(27)25-14-6-7-15-25)32(38)34-24(19-18-22-10-4-3-5-11-22)20-30(37)33-23-12-8-13-23/h9,16-17,21-25H,3-8,10-15,18-20H2,1-2H3,(H,33,37)(H,34,38)/t24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 97 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 40 mins by... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01448
BindingDB Entry DOI: 10.7270/Q2TH8RGN |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50544742
(CHEMBL4647910)Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:23.26,(36.48,-46.53,;37.11,-47.94,;36.21,-49.19,;34.68,-49.03,;33.77,-50.28,;34.39,-51.69,;35.92,-51.85,;36.55,-53.26,;35.64,-54.5,;36.83,-50.59,;38.37,-50.75,;39.4,-49.6,;40.81,-50.23,;40.65,-51.76,;39.14,-52.08,;38.52,-53.49,;37.03,-53.82,;36.88,-55.34,;38.28,-55.96,;39.31,-54.82,;42.14,-49.45,;42.13,-47.91,;43.47,-50.22,;44.8,-49.45,;44.8,-47.91,;46.13,-47.14,;46.13,-45.6,;47.46,-44.83,;47.46,-43.3,;46.13,-42.52,;44.8,-43.29,;44.79,-44.84,;46.14,-50.22,;47.47,-49.44,;47.47,-47.9,;48.81,-50.22,;50.14,-49.44,;51.63,-49.84,;52.02,-48.35,;50.54,-47.95,)| Show InChI InChI=1S/C32H46N4O4/c1-39-28-16-9-17-29(40-2)31(28)27-21-26(35-36(27)25-14-6-7-15-25)32(38)34-24(19-18-22-10-4-3-5-11-22)20-30(37)33-23-12-8-13-23/h9,16-17,21-25H,3-8,10-15,18-20H2,1-2H3,(H,33,37)(H,34,38)/t24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human AGTRL1 expressed in CHO-K1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by PathHunter a... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01448
BindingDB Entry DOI: 10.7270/Q2TH8RGN |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50544742
(CHEMBL4647910)Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:23.26,(36.48,-46.53,;37.11,-47.94,;36.21,-49.19,;34.68,-49.03,;33.77,-50.28,;34.39,-51.69,;35.92,-51.85,;36.55,-53.26,;35.64,-54.5,;36.83,-50.59,;38.37,-50.75,;39.4,-49.6,;40.81,-50.23,;40.65,-51.76,;39.14,-52.08,;38.52,-53.49,;37.03,-53.82,;36.88,-55.34,;38.28,-55.96,;39.31,-54.82,;42.14,-49.45,;42.13,-47.91,;43.47,-50.22,;44.8,-49.45,;44.8,-47.91,;46.13,-47.14,;46.13,-45.6,;47.46,-44.83,;47.46,-43.3,;46.13,-42.52,;44.8,-43.29,;44.79,-44.84,;46.14,-50.22,;47.47,-49.44,;47.47,-47.9,;48.81,-50.22,;50.14,-49.44,;51.63,-49.84,;52.02,-48.35,;50.54,-47.95,)| Show InChI InChI=1S/C32H46N4O4/c1-39-28-16-9-17-29(40-2)31(28)27-21-26(35-36(27)25-14-6-7-15-25)32(38)34-24(19-18-22-10-4-3-5-11-22)20-30(37)33-23-12-8-13-23/h9,16-17,21-25H,3-8,10-15,18-20H2,1-2H3,(H,33,37)(H,34,38)/t24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 97 | 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)) | BDBM50544742
(CHEMBL4647910)Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:23.26,(36.48,-46.53,;37.11,-47.94,;36.21,-49.19,;34.68,-49.03,;33.77,-50.28,;34.39,-51.69,;35.92,-51.85,;36.55,-53.26,;35.64,-54.5,;36.83,-50.59,;38.37,-50.75,;39.4,-49.6,;40.81,-50.23,;40.65,-51.76,;39.14,-52.08,;38.52,-53.49,;37.03,-53.82,;36.88,-55.34,;38.28,-55.96,;39.31,-54.82,;42.14,-49.45,;42.13,-47.91,;43.47,-50.22,;44.8,-49.45,;44.8,-47.91,;46.13,-47.14,;46.13,-45.6,;47.46,-44.83,;47.46,-43.3,;46.13,-42.52,;44.8,-43.29,;44.79,-44.84,;46.14,-50.22,;47.47,-49.44,;47.47,-47.9,;48.81,-50.22,;50.14,-49.44,;51.63,-49.84,;52.02,-48.35,;50.54,-47.95,)| Show InChI InChI=1S/C32H46N4O4/c1-39-28-16-9-17-29(40-2)31(28)27-21-26(35-36(27)25-14-6-7-15-25)32(38)34-24(19-18-22-10-4-3-5-11-22)20-30(37)33-23-12-8-13-23/h9,16-17,21-25H,3-8,10-15,18-20H2,1-2H3,(H,33,37)(H,34,38)/t24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 63 | 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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