Found 4 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50172366' 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)) | BDBM50172366
(CHEMBL3809739)Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C75H119N25O17S2/c1-40(2)33-49(93-67(111)54-20-12-29-98(54)69(113)48(25-32-119-5)91-66(110)53(38-118)96-60(104)45(18-10-27-84-74(78)79)88-59(103)44(17-9-26-83-73(76)77)89-61(105)47-23-24-57(102)87-47)63(107)92-50(35-43-36-82-39-86-43)64(108)95-52(37-101)65(109)90-46(19-11-28-85-75(80)81)62(106)97-58(41(3)4)71(115)99-30-13-21-55(99)68(112)94-51(34-42-15-7-6-8-16-42)70(114)100-31-14-22-56(100)72(116)117/h6-8,15-16,36,39-41,44-56,58,101,118H,9-14,17-35,37-38H2,1-5H3,(H,82,86)(H,87,102)(H,88,103)(H,89,105)(H,90,109)(H,91,110)(H,92,107)(H,93,111)(H,94,112)(H,95,108)(H,96,104)(H,97,106)(H,116,117)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t44-,45-,46?,47-,48-,49-,50-,51-,52-,53?,54-,55-,56-,58-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.930 | 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]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho... |
J Med Chem 59: 2962-72 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H |
More data for this Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50172366
(CHEMBL3809739)Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C75H119N25O17S2/c1-40(2)33-49(93-67(111)54-20-12-29-98(54)69(113)48(25-32-119-5)91-66(110)53(38-118)96-60(104)45(18-10-27-84-74(78)79)88-59(103)44(17-9-26-83-73(76)77)89-61(105)47-23-24-57(102)87-47)63(107)92-50(35-43-36-82-39-86-43)64(108)95-52(37-101)65(109)90-46(19-11-28-85-75(80)81)62(106)97-58(41(3)4)71(115)99-30-13-21-55(99)68(112)94-51(34-42-15-7-6-8-16-42)70(114)100-31-14-22-56(100)72(116)117/h6-8,15-16,36,39-41,44-56,58,101,118H,9-14,17-35,37-38H2,1-5H3,(H,82,86)(H,87,102)(H,88,103)(H,89,105)(H,90,109)(H,91,110)(H,92,107)(H,93,111)(H,94,112)(H,95,108)(H,96,104)(H,97,106)(H,116,117)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t44-,45-,46?,47-,48-,49-,50-,51-,52-,53?,54-,55-,56-,58-/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 | 36 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description Induction of HA-tagged human APJ receptor internalization expressed in HEK-293 cells after 30 mins by ELISA |
J Med Chem 59: 2962-72 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H |
More data for this Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50172366
(CHEMBL3809739)Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C75H119N25O17S2/c1-40(2)33-49(93-67(111)54-20-12-29-98(54)69(113)48(25-32-119-5)91-66(110)53(38-118)96-60(104)45(18-10-27-84-74(78)79)88-59(103)44(17-9-26-83-73(76)77)89-61(105)47-23-24-57(102)87-47)63(107)92-50(35-43-36-82-39-86-43)64(108)95-52(37-101)65(109)90-46(19-11-28-85-75(80)81)62(106)97-58(41(3)4)71(115)99-30-13-21-55(99)68(112)94-51(34-42-15-7-6-8-16-42)70(114)100-31-14-22-56(100)72(116)117/h6-8,15-16,36,39-41,44-56,58,101,118H,9-14,17-35,37-38H2,1-5H3,(H,82,86)(H,87,102)(H,88,103)(H,89,105)(H,90,109)(H,91,110)(H,92,107)(H,93,111)(H,94,112)(H,95,108)(H,96,104)(H,97,106)(H,116,117)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t44-,45-,46?,47-,48-,49-,50-,51-,52-,53?,54-,55-,56-,58-/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 | 8.60 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description Agonist activity at human APJ receptor expressed in HEK-293 cells assessed as dissociation of G-alpha-i1 protein after 5 mins by BRET assay |
J Med Chem 59: 2962-72 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H |
More data for this Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50172366
(CHEMBL3809739)Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C75H119N25O17S2/c1-40(2)33-49(93-67(111)54-20-12-29-98(54)69(113)48(25-32-119-5)91-66(110)53(38-118)96-60(104)45(18-10-27-84-74(78)79)88-59(103)44(17-9-26-83-73(76)77)89-61(105)47-23-24-57(102)87-47)63(107)92-50(35-43-36-82-39-86-43)64(108)95-52(37-101)65(109)90-46(19-11-28-85-75(80)81)62(106)97-58(41(3)4)71(115)99-30-13-21-55(99)68(112)94-51(34-42-15-7-6-8-16-42)70(114)100-31-14-22-56(100)72(116)117/h6-8,15-16,36,39-41,44-56,58,101,118H,9-14,17-35,37-38H2,1-5H3,(H,82,86)(H,87,102)(H,88,103)(H,89,105)(H,90,109)(H,91,110)(H,92,107)(H,93,111)(H,94,112)(H,95,108)(H,96,104)(H,97,106)(H,116,117)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t44-,45-,46?,47-,48-,49-,50-,51-,52-,53?,54-,55-,56-,58-/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 | 166 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description Agonist activity at human APJ receptor expressed in HEK-293 cells assessed as beta-arrestin2 recruitment after 30 mins by BRET assay |
J Med Chem 59: 2962-72 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H |
More data for this Ligand-Target Pair | |