Found 4 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50518024' 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)) | BDBM50518024
(CHEMBL4438370)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CC=CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C64H98N14O14/c1-40(2)35-49(74-57(83)48(23-11-14-32-67)73-62(88)53-25-16-34-78(53)63(89)44(68)19-9-12-30-65)59(85)76-51(38-79)60(86)71-46-20-7-4-8-21-47(58(84)75-50(64(90)91)36-41-26-28-43(29-27-41)92-39-42-17-5-3-6-18-42)72-61(87)52-24-15-33-77(52)54(80)37-69-55(81)45(70-56(46)82)22-10-13-31-66/h3-7,17-18,26-29,40,44-53,79H,8-16,19-25,30-39,65-68H2,1-2H3,(H,69,81)(H,70,82)(H,71,86)(H,72,87)(H,73,88)(H,74,83)(H,75,84)(H,76,85)(H,90,91)/t44-,45-,46+,47-,48-,49-,50-,51-,52-,53-/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 |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Agonist activity at GFP10 tagged human APJ receptor expressed in HEK293 cells harboring Rluc2-beta-arrestin1 assessed as increase in beta-arrestin1 r... |
J Med Chem 61: 9841-9878 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50518024
(CHEMBL4438370)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CC=CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C64H98N14O14/c1-40(2)35-49(74-57(83)48(23-11-14-32-67)73-62(88)53-25-16-34-78(53)63(89)44(68)19-9-12-30-65)59(85)76-51(38-79)60(86)71-46-20-7-4-8-21-47(58(84)75-50(64(90)91)36-41-26-28-43(29-27-41)92-39-42-17-5-3-6-18-42)72-61(87)52-24-15-33-77(52)54(80)37-69-55(81)45(70-56(46)82)22-10-13-31-66/h3-7,17-18,26-29,40,44-53,79H,8-16,19-25,30-39,65-68H2,1-2H3,(H,69,81)(H,70,82)(H,71,86)(H,72,87)(H,73,88)(H,74,83)(H,75,84)(H,76,85)(H,90,91)/t44-,45-,46+,47-,48-,49-,50-,51-,52-,53-/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 | 50 | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Agonist activity at GFP10 tagged human APJ receptor expressed in HEK293 cells harboring Rluc2-Galpha0A/GFP10-Ggamma/Gbeta1 after 5 mins by BRET assay |
J Med Chem 61: 9841-9878 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50518024
(CHEMBL4438370)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CC=CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C64H98N14O14/c1-40(2)35-49(74-57(83)48(23-11-14-32-67)73-62(88)53-25-16-34-78(53)63(89)44(68)19-9-12-30-65)59(85)76-51(38-79)60(86)71-46-20-7-4-8-21-47(58(84)75-50(64(90)91)36-41-26-28-43(29-27-41)92-39-42-17-5-3-6-18-42)72-61(87)52-24-15-33-77(52)54(80)37-69-55(81)45(70-56(46)82)22-10-13-31-66/h3-7,17-18,26-29,40,44-53,79H,8-16,19-25,30-39,65-68H2,1-2H3,(H,69,81)(H,70,82)(H,71,86)(H,72,87)(H,73,88)(H,74,83)(H,75,84)(H,76,85)(H,90,91)/t44-,45-,46+,47-,48-,49-,50-,51-,52-,53-/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 | 56 | n/a | n/a | n/a | n/a |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Agonist activity at GFP10 tagged human APJ receptor expressed in HEK293 cells harboring Rluc2-Galphai1/GFP10-Ggamma/Gbeta1 after 5 mins by BRET assay |
J Med Chem 61: 9841-9878 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50518024
(CHEMBL4438370)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CC=CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C64H98N14O14/c1-40(2)35-49(74-57(83)48(23-11-14-32-67)73-62(88)53-25-16-34-78(53)63(89)44(68)19-9-12-30-65)59(85)76-51(38-79)60(86)71-46-20-7-4-8-21-47(58(84)75-50(64(90)91)36-41-26-28-43(29-27-41)92-39-42-17-5-3-6-18-42)72-61(87)52-24-15-33-77(52)54(80)37-69-55(81)45(70-56(46)82)22-10-13-31-66/h3-7,17-18,26-29,40,44-53,79H,8-16,19-25,30-39,65-68H2,1-2H3,(H,69,81)(H,70,82)(H,71,86)(H,72,87)(H,73,88)(H,74,83)(H,75,84)(H,76,85)(H,90,91)/t44-,45-,46+,47-,48-,49-,50-,51-,52-,53-/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 |
ShanghaiTech University
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells harboring Rluc2-beta-arrestin2 assessed as increase in beta-arrestin2 recruitment af... |
J Med Chem 61: 9841-9878 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7 |
More data for this
Ligand-Target Pair | |
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