Found 3 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50244576' 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)) | BDBM50244576
(CHEMBL4078407)Show SMILES CC(C)C[C@H](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](CO)C(=O)N[C@H]1C\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCCN)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:56| Show InChI InChI=1S/C66H102N20O16/c1-37(2)33-45(81-55(92)41(20-10-28-72-65(68)69)78-60(97)49-23-13-31-85(49)63(100)44(21-11-29-73-66(70)71)79-56(93)42-25-26-51(88)75-42)57(94)83-47(36-87)58(95)77-40-17-6-7-19-43(62(99)86-32-14-24-50(86)61(98)82-46(64(101)102)34-38-15-4-3-5-16-38)80-59(96)48-22-12-30-84(48)52(89)35-74-53(90)39(76-54(40)91)18-8-9-27-67/h3-7,15-16,37,39-50,87H,8-14,17-36,67H2,1-2H3,(H,74,90)(H,75,88)(H,76,91)(H,77,95)(H,78,97)(H,79,93)(H,80,96)(H,81,92)(H,82,98)(H,83,94)(H,101,102)(H4,68,69,72)(H4,70,71,73)/b7-6-/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | 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)) | BDBM50244576
(CHEMBL4078407)Show SMILES CC(C)C[C@H](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](CO)C(=O)N[C@H]1C\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCCN)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:56| Show InChI InChI=1S/C66H102N20O16/c1-37(2)33-45(81-55(92)41(20-10-28-72-65(68)69)78-60(97)49-23-13-31-85(49)63(100)44(21-11-29-73-66(70)71)79-56(93)42-25-26-51(88)75-42)57(94)83-47(36-87)58(95)77-40-17-6-7-19-43(62(99)86-32-14-24-50(86)61(98)82-46(64(101)102)34-38-15-4-3-5-16-38)80-59(96)48-22-12-30-84(48)52(89)35-74-53(90)39(76-54(40)91)18-8-9-27-67/h3-7,15-16,37,39-50,87H,8-14,17-36,67H2,1-2H3,(H,74,90)(H,75,88)(H,76,91)(H,77,95)(H,78,97)(H,79,93)(H,80,96)(H,81,92)(H,82,98)(H,83,94)(H,101,102)(H4,68,69,72)(H4,70,71,73)/b7-6-/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/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 | 400 | 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)) | BDBM50244576
(CHEMBL4078407)Show SMILES CC(C)C[C@H](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](CO)C(=O)N[C@H]1C\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCCN)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:56| Show InChI InChI=1S/C66H102N20O16/c1-37(2)33-45(81-55(92)41(20-10-28-72-65(68)69)78-60(97)49-23-13-31-85(49)63(100)44(21-11-29-73-66(70)71)79-56(93)42-25-26-51(88)75-42)57(94)83-47(36-87)58(95)77-40-17-6-7-19-43(62(99)86-32-14-24-50(86)61(98)82-46(64(101)102)34-38-15-4-3-5-16-38)80-59(96)48-22-12-30-84(48)52(89)35-74-53(90)39(76-54(40)91)18-8-9-27-67/h3-7,15-16,37,39-50,87H,8-14,17-36,67H2,1-2H3,(H,74,90)(H,75,88)(H,76,91)(H,77,95)(H,78,97)(H,79,93)(H,80,96)(H,81,92)(H,82,98)(H,83,94)(H,101,102)(H4,68,69,72)(H4,70,71,73)/b7-6-/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/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 | 20 | 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 | |