Found 3 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50244518' 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)) | BDBM50244518
(CHEMBL4072606)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C69H105N21O16/c1-6-9-21-44(58(96)81-43(18-8-3)57(95)87-50(67(105)106)33-40-19-11-10-12-20-40)82-64(102)52-24-15-30-89(52)55(93)36-77-56(94)42(17-7-2)80-62(100)49(34-41-35-74-38-78-41)86-63(101)51(37-91)88-61(99)48(32-39(4)5)85-59(97)45(22-13-28-75-68(70)71)83-65(103)53-25-16-31-90(53)66(104)47(23-14-29-76-69(72)73)84-60(98)46-26-27-54(92)79-46/h7-8,10-12,19-20,35,38-39,42-53,91H,2-3,6,9,13-18,21-34,36-37H2,1,4-5H3,(H,74,78)(H,77,94)(H,79,92)(H,80,100)(H,81,96)(H,82,102)(H,83,103)(H,84,98)(H,85,97)(H,86,101)(H,87,95)(H,88,99)(H,105,106)(H4,70,71,75)(H4,72,73,76)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244518
(CHEMBL4072606)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C69H105N21O16/c1-6-9-21-44(58(96)81-43(18-8-3)57(95)87-50(67(105)106)33-40-19-11-10-12-20-40)82-64(102)52-24-15-30-89(52)55(93)36-77-56(94)42(17-7-2)80-62(100)49(34-41-35-74-38-78-41)86-63(101)51(37-91)88-61(99)48(32-39(4)5)85-59(97)45(22-13-28-75-68(70)71)83-65(103)53-25-16-31-90(53)66(104)47(23-14-29-76-69(72)73)84-60(98)46-26-27-54(92)79-46/h7-8,10-12,19-20,35,38-39,42-53,91H,2-3,6,9,13-18,21-34,36-37H2,1,4-5H3,(H,74,78)(H,77,94)(H,79,92)(H,80,100)(H,81,96)(H,82,102)(H,83,103)(H,84,98)(H,85,97)(H,86,101)(H,87,95)(H,88,99)(H,105,106)(H4,70,71,75)(H4,72,73,76)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 58 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Activity at GFP10-tagged human APJ receptor expressed in HEK293 cells assessed as induction of RlucII-tagged beta-arrestin-2 recruitment after 30 min... |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50244518
(CHEMBL4072606)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C69H105N21O16/c1-6-9-21-44(58(96)81-43(18-8-3)57(95)87-50(67(105)106)33-40-19-11-10-12-20-40)82-64(102)52-24-15-30-89(52)55(93)36-77-56(94)42(17-7-2)80-62(100)49(34-41-35-74-38-78-41)86-63(101)51(37-91)88-61(99)48(32-39(4)5)85-59(97)45(22-13-28-75-68(70)71)83-65(103)53-25-16-31-90(53)66(104)47(23-14-29-76-69(72)73)84-60(98)46-26-27-54(92)79-46/h7-8,10-12,19-20,35,38-39,42-53,91H,2-3,6,9,13-18,21-34,36-37H2,1,4-5H3,(H,74,78)(H,77,94)(H,79,92)(H,80,100)(H,81,96)(H,82,102)(H,83,103)(H,84,98)(H,85,97)(H,86,101)(H,87,95)(H,88,99)(H,105,106)(H4,70,71,75)(H4,72,73,76)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Activity at human APJ receptor expressed in HEK293 cells assessed as dissociation of Galphai1 from Gbetagamma subunit after 5 mins by BRET assay |
J Med Chem 61: 2266-2277 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01353
BindingDB Entry DOI: 10.7270/Q27M0BC2 |
More data for this
Ligand-Target Pair | |
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