Found 3 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50244511' 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)) | BDBM50244511
(CHEMBL4077162)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC=C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C69H108N22O15/c1-4-7-22-47(65(103)91-34-17-28-54(91)64(102)87-50(67(105)106)35-41-20-9-8-10-21-41)85-62(100)52-26-15-32-89(52)55(93)38-79-57(95)45(23-11-12-29-70)82-60(98)49(36-42-37-76-40-80-42)86-61(99)51(39-92)88-58(96)44(19-6-3)81-59(97)46(24-13-30-77-68(72)73)83-63(101)53-27-16-33-90(53)66(104)48(25-14-31-78-69(74)75)84-56(94)43(71)18-5-2/h5-6,8-10,20-21,37,40,43-54,92H,2-4,7,11-19,22-36,38-39,70-71H2,1H3,(H,76,80)(H,79,95)(H,81,97)(H,82,98)(H,83,101)(H,84,94)(H,85,100)(H,86,99)(H,87,102)(H,88,96)(H,105,106)(H4,72,73,77)(H4,74,75,78)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.5 | 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)) | BDBM50244511
(CHEMBL4077162)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC=C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C69H108N22O15/c1-4-7-22-47(65(103)91-34-17-28-54(91)64(102)87-50(67(105)106)35-41-20-9-8-10-21-41)85-62(100)52-26-15-32-89(52)55(93)38-79-57(95)45(23-11-12-29-70)82-60(98)49(36-42-37-76-40-80-42)86-61(99)51(39-92)88-58(96)44(19-6-3)81-59(97)46(24-13-30-77-68(72)73)83-63(101)53-27-16-33-90(53)66(104)48(25-14-31-78-69(74)75)84-56(94)43(71)18-5-2/h5-6,8-10,20-21,37,40,43-54,92H,2-4,7,11-19,22-36,38-39,70-71H2,1H3,(H,76,80)(H,79,95)(H,81,97)(H,82,98)(H,83,101)(H,84,94)(H,85,100)(H,86,99)(H,87,102)(H,88,96)(H,105,106)(H4,72,73,77)(H4,74,75,78)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand |
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)) | BDBM50244511
(CHEMBL4077162)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC=C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C69H108N22O15/c1-4-7-22-47(65(103)91-34-17-28-54(91)64(102)87-50(67(105)106)35-41-20-9-8-10-21-41)85-62(100)52-26-15-32-89(52)55(93)38-79-57(95)45(23-11-12-29-70)82-60(98)49(36-42-37-76-40-80-42)86-61(99)51(39-92)88-58(96)44(19-6-3)81-59(97)46(24-13-30-77-68(72)73)83-63(101)53-27-16-33-90(53)66(104)48(25-14-31-78-69(74)75)84-56(94)43(71)18-5-2/h5-6,8-10,20-21,37,40,43-54,92H,2-4,7,11-19,22-36,38-39,70-71H2,1H3,(H,76,80)(H,79,95)(H,81,97)(H,82,98)(H,83,101)(H,84,94)(H,85,100)(H,86,99)(H,87,102)(H,88,96)(H,105,106)(H4,72,73,77)(H4,74,75,78)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 35 | 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 | |