Found 3 hits for monomerid = 50172375 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Apelin receptor
(Homo sapiens (Human)) | BDBM50172375
(CHEMBL3809149)Show SMILES CSCCC(NC(=O)C(C)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/C75H119N25O17S/c1-40(2)34-50(94-67(111)54-21-13-30-98(54)69(113)49(26-33-118-6)92-59(103)42(5)87-60(104)45(18-10-27-83-73(76)77)89-61(105)46(19-11-28-84-74(78)79)90-62(106)48-24-25-57(102)88-48)64(108)93-51(36-44-37-82-39-86-44)65(109)96-53(38-101)66(110)91-47(20-12-29-85-75(80)81)63(107)97-58(41(3)4)71(115)99-31-14-22-55(99)68(112)95-52(35-43-16-8-7-9-17-43)70(114)100-32-15-23-56(100)72(116)117/h7-9,16-17,37,39-42,45-56,58,101H,10-15,18-36,38H2,1-6H3,(H,82,86)(H,87,104)(H,88,102)(H,89,105)(H,90,106)(H,91,110)(H,92,103)(H,93,108)(H,94,111)(H,95,112)(H,96,109)(H,97,107)(H,116,117)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t42?,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
| PubMed
| 0.840 | 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)
BindingDB Entry DOI: 10.7270/Q23N258H |
More data for this Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50172375
(CHEMBL3809149)Show SMILES CSCCC(NC(=O)C(C)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/C75H119N25O17S/c1-40(2)34-50(94-67(111)54-21-13-30-98(54)69(113)49(26-33-118-6)92-59(103)42(5)87-60(104)45(18-10-27-83-73(76)77)89-61(105)46(19-11-28-84-74(78)79)90-62(106)48-24-25-57(102)88-48)64(108)93-51(36-44-37-82-39-86-44)65(109)96-53(38-101)66(110)91-47(20-12-29-85-75(80)81)63(107)97-58(41(3)4)71(115)99-31-14-22-55(99)68(112)95-52(35-43-16-8-7-9-17-43)70(114)100-32-15-23-56(100)72(116)117/h7-9,16-17,37,39-42,45-56,58,101H,10-15,18-36,38H2,1-6H3,(H,82,86)(H,87,104)(H,88,102)(H,89,105)(H,90,106)(H,91,110)(H,92,103)(H,93,108)(H,94,111)(H,95,112)(H,96,109)(H,97,107)(H,116,117)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t42?,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
| PubMed
| n/a | n/a | n/a | n/a | 288 | 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)
BindingDB Entry DOI: 10.7270/Q23N258H |
More data for this Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50172375
(CHEMBL3809149)Show SMILES CSCCC(NC(=O)C(C)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/C75H119N25O17S/c1-40(2)34-50(94-67(111)54-21-13-30-98(54)69(113)49(26-33-118-6)92-59(103)42(5)87-60(104)45(18-10-27-83-73(76)77)89-61(105)46(19-11-28-84-74(78)79)90-62(106)48-24-25-57(102)88-48)64(108)93-51(36-44-37-82-39-86-44)65(109)96-53(38-101)66(110)91-47(20-12-29-85-75(80)81)63(107)97-58(41(3)4)71(115)99-31-14-22-55(99)68(112)95-52(35-43-16-8-7-9-17-43)70(114)100-32-15-23-56(100)72(116)117/h7-9,16-17,37,39-42,45-56,58,101H,10-15,18-36,38H2,1-6H3,(H,82,86)(H,87,104)(H,88,102)(H,89,105)(H,90,106)(H,91,110)(H,92,103)(H,93,108)(H,94,111)(H,95,112)(H,96,109)(H,97,107)(H,116,117)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t42?,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
| PubMed
| n/a | n/a | n/a | n/a | 5.70 | 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)
BindingDB Entry DOI: 10.7270/Q23N258H |
More data for this Ligand-Target Pair | |