Found 37 hits of Enzyme Inhibition Constant Data 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)) | BDBM50183344
(CHEMBL3818101)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)CC(O)=O |r,wU:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;6.18,-7.61,;6.8,-9.02,;8.02,-9.16,;6.07,-10.02,;3.74,-8.69,;4.36,-10.1,;5.58,-10.23,;3.63,-11.09,)| Show InChI InChI=1S/C25H28FN3O5/c1-15(2)12-17(13-23(30)31)27-25(32)19-14-20(24-21(33-3)6-5-7-22(24)34-4)29(28-19)18-10-8-16(26)9-11-18/h5-11,14-15,17H,12-13H2,1-4H3,(H,27,32)(H,30,31)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [125I]-apelin13 from human APJ receptor expressed in CHOK1 cell membranes after 2 hrs by scintillation counting |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183341
(CHEMBL3817879)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;4.07,-12.75,;3.16,-13.99,;1.63,-13.82,;1.01,-12.41,;1.92,-11.17,;6.18,-7.61,;6.8,-9.02,;6.07,-10.02,;8.02,-9.16,)| Show InChI InChI=1S/C29H34FN3O5/c1-37-25-9-6-10-26(38-2)28(25)24-18-23(32-33(24)22-15-12-20(30)13-16-22)29(36)31-21(17-27(34)35)14-11-19-7-4-3-5-8-19/h6,9-10,12-13,15-16,18-19,21H,3-5,7-8,11,14,17H2,1-2H3,(H,31,36)(H,34,35)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [125I]-apelin13 from human APJ receptor expressed in CHOK1 cell membranes after 2 hrs by scintillation counting |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183343
(CHEMBL3818506)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@H](CC(O)=O)C1CCCCC1 |r,wD:25.32,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;6.18,-7.61,;7.09,-6.36,;6.59,-5.24,;8.31,-6.49,;3.74,-8.69,;4.36,-10.1,;3.44,-11.34,;1.91,-11.17,;1.29,-9.76,;2.21,-8.52,)| Show InChI InChI=1S/C27H30FN3O5/c1-35-23-9-6-10-24(36-2)26(23)22-15-21(30-31(22)19-13-11-18(28)12-14-19)27(34)29-20(16-25(32)33)17-7-4-3-5-8-17/h6,9-15,17,20H,3-5,7-8,16H2,1-2H3,(H,29,34)(H,32,33)/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [125I]-apelin13 from human APJ receptor expressed in CHOK1 cell membranes after 2 hrs by scintillation counting |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183374
(CHEMBL3818972)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCc1ccccc1)CC(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;4.07,-12.75,;3.16,-13.99,;1.63,-13.82,;1.01,-12.41,;1.92,-11.17,;6.18,-7.61,;6.8,-9.02,;6.07,-10.02,;8.02,-9.16,)| Show InChI InChI=1S/C29H28FN3O5/c1-37-25-9-6-10-26(38-2)28(25)24-18-23(32-33(24)22-15-12-20(30)13-16-22)29(36)31-21(17-27(34)35)14-11-19-7-4-3-5-8-19/h3-10,12-13,15-16,18,21H,11,14,17H2,1-2H3,(H,31,36)(H,34,35)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [125I]-apelin13 from human APJ receptor expressed in CHOK1 cell membranes after 2 hrs by scintillation counting |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183340
(CHEMBL3818823)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.34,wD:25.27,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;5.89,-10.26,;6.8,-9.02,;6.18,-7.61,;6.52,-11.67,;5.8,-12.66,;7.75,-11.8,)| Show InChI InChI=1S/C25H26FN3O5/c1-33-21-4-3-5-22(34-2)23(21)20-14-19(28-29(20)18-12-8-16(26)9-13-18)24(30)27-17-10-6-15(7-11-17)25(31)32/h3-5,8-9,12-15,17H,6-7,10-11H2,1-2H3,(H,27,30)(H,31,32)/t15-,17- | 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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183357
(CHEMBL3818742)Show SMILES OC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)n(n1)-c1ccc(F)cc1)C1CCCCC1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-18-11-13-19(14-12-18)28-21(16-7-3-1-4-8-16)15-20(27-28)23(29)26-22(24(30)31)17-9-5-2-6-10-17/h1,3-4,7-8,11-15,17,22H,2,5-6,9-10H2,(H,26,29)(H,30,31)/t22-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 2
(Rattus norvegicus) | BDBM50183343
(CHEMBL3818506)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@H](CC(O)=O)C1CCCCC1 |r,wD:25.32,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;6.18,-7.61,;7.09,-6.36,;6.59,-5.24,;8.31,-6.49,;3.74,-8.69,;4.36,-10.1,;3.44,-11.34,;1.91,-11.17,;1.29,-9.76,;2.21,-8.52,)| Show InChI InChI=1S/C27H30FN3O5/c1-35-23-9-6-10-24(36-2)26(23)22-15-21(30-31(22)19-13-11-18(28)12-14-19)27(34)29-20(16-25(32)33)17-7-4-3-5-8-17/h6,9-15,17,20H,3-5,7-8,16H2,1-2H3,(H,29,34)(H,32,33)/t20-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 345 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Partial agonist activity at rat NTS2 receptor expressed in CHOK1 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183368
(CHEMBL3819352)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)NCC1CCCCC1 |(4.75,-11.88,;4.33,-10.72,;2.82,-10.43,;1.82,-11.6,;.31,-11.32,;-.21,-9.87,;.79,-8.7,;.28,-7.25,;-.93,-7.02,;2.31,-8.99,;3.22,-7.74,;2.75,-6.28,;3.99,-5.4,;5.24,-6.29,;4.76,-7.75,;5.66,-9,;7.19,-8.96,;8,-10.27,;7.26,-11.62,;7.91,-12.67,;5.72,-11.66,;4.92,-10.35,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C25H28FN3O3/c1-31-22-9-6-10-23(32-2)24(22)21-15-20(25(30)27-16-17-7-4-3-5-8-17)28-29(21)19-13-11-18(26)12-14-19/h6,9-15,17H,3-5,7-8,16H2,1-2H3,(H,27,30) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183372
(CHEMBL3818958)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@H](C1CCCCC1)C(O)=O |r,wD:25.28,(4.75,-11.88,;4.33,-10.72,;2.82,-10.43,;1.82,-11.6,;.31,-11.32,;-.21,-9.87,;.79,-8.7,;.28,-7.25,;-.93,-7.02,;2.31,-8.99,;3.22,-7.74,;2.75,-6.28,;3.99,-5.4,;5.24,-6.29,;4.76,-7.75,;5.66,-9,;7.19,-8.96,;8,-10.27,;7.26,-11.62,;7.91,-12.67,;5.72,-11.66,;4.92,-10.35,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;4,-.78,;4.01,.45,;5.07,-1.4,)| Show InChI InChI=1S/C26H28FN3O5/c1-34-21-9-6-10-22(35-2)23(21)20-15-19(29-30(20)18-13-11-17(27)12-14-18)25(31)28-24(26(32)33)16-7-4-3-5-8-16/h6,9-16,24H,3-5,7-8H2,1-2H3,(H,28,31)(H,32,33)/t24-/m1/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183380
(CHEMBL3819625)Show SMILES CC1=CC(=O)C(=C\C1=N\OS(=O)(=O)c1ccccc1)C1CCCCC1 |c:5,t:1| Show InChI InChI=1S/C19H21NO4S/c1-14-12-19(21)17(15-8-4-2-5-9-15)13-18(14)20-24-25(22,23)16-10-6-3-7-11-16/h3,6-7,10-13,15H,2,4-5,8-9H2,1H3/b20-18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at APJ receptor (unknown origin) |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183343
(CHEMBL3818506)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@H](CC(O)=O)C1CCCCC1 |r,wD:25.32,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;6.18,-7.61,;7.09,-6.36,;6.59,-5.24,;8.31,-6.49,;3.74,-8.69,;4.36,-10.1,;3.44,-11.34,;1.91,-11.17,;1.29,-9.76,;2.21,-8.52,)| Show InChI InChI=1S/C27H30FN3O5/c1-35-23-9-6-10-24(36-2)26(23)22-15-21(30-31(22)19-13-11-18(28)12-14-19)27(34)29-20(16-25(32)33)17-7-4-3-5-8-17/h6,9-15,17,20H,3-5,7-8,16H2,1-2H3,(H,29,34)(H,32,33)/t20-/m1/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 | 9.90E+3 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183360
(CHEMBL3819110)Show SMILES OC(=O)[C@@H](NC(=O)c1cc(-c2c(O)cccc2O)n(n1)-c1ccc(F)cc1)C1CCCCC1 |r,wU:3.29,(4.01,.45,;4,-.78,;5.07,-1.4,;2.67,-1.54,;2.66,-3.08,;4,-3.86,;5.07,-3.24,;3.99,-5.4,;2.75,-6.28,;3.22,-7.74,;2.31,-8.99,;3.04,-10.34,;4.27,-10.38,;2.22,-11.65,;.69,-11.6,;-.04,-10.24,;.77,-8.93,;.19,-7.85,;4.76,-7.75,;5.24,-6.29,;5.66,-9,;7.19,-8.96,;8,-10.27,;7.26,-11.62,;7.91,-12.67,;5.72,-11.66,;4.92,-10.35,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C24H24FN3O5/c25-15-9-11-16(12-10-15)28-18(21-19(29)7-4-8-20(21)30)13-17(27-28)23(31)26-22(24(32)33)14-5-2-1-3-6-14/h4,7-14,22,29-30H,1-3,5-6H2,(H,26,31)(H,32,33)/t22-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183361
(CHEMBL3818682)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(=O)NCC(O)=O |r,wD:25.28,(3.74,-.92,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-3.74,-.92,;,-1.54,;,-3.08,;1.25,-3.96,;.77,-5.43,;-.77,-5.43,;-1.24,-3.97,;-2.71,-3.48,;-3.14,-2.01,;-4.63,-1.65,;-5.7,-2.76,;-6.89,-2.47,;-5.27,-4.24,;-3.77,-4.6,;1.68,-6.67,;2.9,-6.54,;1.05,-8.08,;1.96,-9.33,;1.33,-10.73,;-.2,-10.9,;-.82,-12.31,;.08,-13.55,;1.62,-13.39,;2.24,-11.98,;3.49,-9.16,;4.21,-10.16,;4.11,-7.75,;5.65,-7.59,;6.27,-6.18,;5.54,-5.19,;7.5,-6.05,)| Show InChI InChI=1S/C28H31FN4O6/c1-38-22-9-6-10-23(39-2)25(22)21-15-20(32-33(21)19-13-11-18(29)12-14-19)27(36)31-26(17-7-4-3-5-8-17)28(37)30-16-24(34)35/h6,9-15,17,26H,3-5,7-8,16H2,1-2H3,(H,30,37)(H,31,36)(H,34,35)/t26-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183367
(CHEMBL3819218)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(N)=O |r,wU:25.28,(8.13,.14,;6.93,-.15,;5.87,.96,;6.3,2.44,;5.24,3.56,;3.74,3.19,;3.31,1.71,;1.81,1.35,;.96,2.24,;4.37,.6,;4.06,-.91,;5.09,-2.05,;4.31,-3.38,;2.81,-3.06,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.4,1.39,;-1.33,-.77,;,-1.54,;4.94,-4.79,;4.22,-5.79,;6.47,-4.95,;7.1,-6.36,;8.63,-6.52,;9.26,-7.92,;10.79,-8.08,;11.7,-6.83,;11.07,-5.43,;9.53,-5.27,;6.19,-7.6,;6.69,-8.73,;4.97,-7.47,)| Show InChI InChI=1S/C26H29FN4O4/c1-34-21-9-6-10-22(35-2)23(21)20-15-19(30-31(20)18-13-11-17(27)12-14-18)26(33)29-24(25(28)32)16-7-4-3-5-8-16/h6,9-16,24H,3-5,7-8H2,1-2H3,(H2,28,32)(H,29,33)/t24-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183369
(CHEMBL3818625)Show SMILES COC(=O)[C@@H](NC(=O)c1cc(-c2c(OC)cccc2OC)n(n1)-c1ccc(F)cc1)C1CCCCC1 |r,wU:4.32,(6.41,-.94,;5.34,-1.55,;4,-.78,;4.01,.45,;2.67,-1.54,;2.66,-3.08,;4,-3.86,;5.07,-3.24,;3.99,-5.4,;2.75,-6.28,;3.22,-7.74,;2.31,-8.99,;2.82,-10.43,;4.33,-10.72,;4.75,-11.88,;1.82,-11.6,;.31,-11.32,;-.21,-9.87,;.79,-8.7,;.28,-7.25,;-.93,-7.02,;4.76,-7.75,;5.24,-6.29,;5.66,-9,;7.19,-8.96,;8,-10.27,;7.26,-11.62,;7.91,-12.67,;5.72,-11.66,;4.92,-10.35,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,)| Show InChI InChI=1S/C27H30FN3O5/c1-34-22-10-7-11-23(35-2)24(22)21-16-20(30-31(21)19-14-12-18(28)13-15-19)26(32)29-25(27(33)36-3)17-8-5-4-6-9-17/h7,10-17,25H,4-6,8-9H2,1-3H3,(H,29,32)/t25-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183374
(CHEMBL3818972)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCc1ccccc1)CC(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;4.07,-12.75,;3.16,-13.99,;1.63,-13.82,;1.01,-12.41,;1.92,-11.17,;6.18,-7.61,;6.8,-9.02,;6.07,-10.02,;8.02,-9.16,)| Show InChI InChI=1S/C29H28FN3O5/c1-37-25-9-6-10-26(38-2)28(25)24-18-23(32-33(24)22-15-12-20(30)13-16-22)29(36)31-21(17-27(34)35)14-11-19-7-4-3-5-8-19/h3-10,12-13,15-16,18,21H,11,14,17H2,1-2H3,(H,31,36)(H,34,35)/t21-/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 | 3.00E+3 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183350
(CHEMBL3819064)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;2.22,-11.21,;3.95,-12.47,;6.18,-7.61,;6.91,-6.62,;6.67,-8.74,)| Show InChI InChI=1S/C23H23FN4O6/c1-33-18-4-3-5-19(34-2)21(18)17-12-16(27-28(17)14-8-6-13(24)7-9-14)22(30)26-15(23(31)32)10-11-20(25)29/h3-9,12,15H,10-11H2,1-2H3,(H2,25,29)(H,26,30)(H,31,32)/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183353
(CHEMBL3818936)Show SMILES Cc1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C19H22FN3O3/c1-12-11-16(22-23(12)15-9-7-14(20)8-10-15)18(24)21-17(19(25)26)13-5-3-2-4-6-13/h7-11,13,17H,2-6H2,1H3,(H,21,24)(H,25,26)/t17-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183358
(CHEMBL3817962)Show SMILES COc1cccc(O)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r,wU:24.27,(-1.19,-7.54,;.05,-7.58,;.77,-8.93,;-.04,-10.24,;.69,-11.6,;2.22,-11.65,;3.04,-10.34,;4.27,-10.38,;2.31,-8.99,;3.22,-7.74,;2.75,-6.28,;3.99,-5.4,;5.24,-6.29,;4.76,-7.75,;5.66,-9,;7.19,-8.96,;8,-10.27,;7.26,-11.62,;7.91,-12.67,;5.72,-11.66,;4.92,-10.35,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;4,-.78,;4.01,.45,;5.07,-1.4,)| Show InChI InChI=1S/C25H26FN3O5/c1-34-21-9-5-8-20(30)22(21)19-14-18(28-29(19)17-12-10-16(26)11-13-17)24(31)27-23(25(32)33)15-6-3-2-4-7-15/h5,8-15,23,30H,2-4,6-7H2,1H3,(H,27,31)(H,32,33)/t23-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183362
(CHEMBL3818921)Show SMILES COC(=O)CNC(=O)[C@@H](NC(=O)c1cc(-c2c(OC)cccc2OC)n(n1)-c1ccc(F)cc1)C1CCCCC1 |r,wD:8.36,(8.3,-4.89,;7.8,-6.02,;6.27,-6.18,;5.54,-5.19,;5.65,-7.59,;4.11,-7.75,;3.49,-9.16,;4.21,-10.16,;1.96,-9.33,;1.05,-8.08,;1.68,-6.67,;2.9,-6.54,;.77,-5.43,;1.25,-3.96,;,-3.08,;,-1.54,;1.33,-.77,;2.67,-1.54,;3.74,-.92,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-3.74,-.92,;-1.24,-3.97,;-.77,-5.43,;-2.71,-3.48,;-3.14,-2.01,;-4.63,-1.65,;-5.7,-2.76,;-6.89,-2.47,;-5.27,-4.24,;-3.77,-4.6,;1.33,-10.73,;-.2,-10.9,;-.82,-12.31,;.08,-13.55,;1.62,-13.39,;2.24,-11.98,)| Show InChI InChI=1S/C29H33FN4O6/c1-38-23-10-7-11-24(39-2)26(23)22-16-21(33-34(22)20-14-12-19(30)13-15-20)28(36)32-27(18-8-5-4-6-9-18)29(37)31-17-25(35)40-3/h7,10-16,18,27H,4-6,8-9,17H2,1-3H3,(H,31,37)(H,32,36)/t27-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50019419
(CHEMBL3290103)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:34:33:31:27.28.29,24:25:27.34.28:32.30.31,THB:34:28:25.33.32:31,29:28:25:32.30.31,29:30:25:27.34.28,35:25:27.34.28:32.30.31,24:25:31:27.28.29,(56.32,-26.53,;57,-27.91,;56.16,-29.2,;54.62,-29.11,;53.77,-30.4,;54.48,-31.78,;56.01,-31.87,;56.7,-33.24,;55.87,-34.52,;56.85,-30.58,;58.38,-30.66,;58.85,-32.13,;60.39,-32.13,;60.87,-30.67,;59.62,-29.75,;59.62,-28.21,;60.96,-27.45,;60.96,-25.91,;59.62,-25.13,;59.62,-23.59,;58.28,-25.92,;58.29,-27.45,;61.3,-33.38,;60.67,-34.79,;62.83,-33.22,;63.74,-34.46,;64.93,-33.19,;66.26,-33.67,;67.66,-33.33,;67.67,-31.8,;66.27,-31.22,;64.92,-31.7,;65.23,-32.45,;65.24,-34.04,;66.65,-34.6,;63.1,-35.87,;61.57,-36.03,;64.01,-37.12,)| Show InChI InChI=1S/C29H30FN3O5/c1-37-24-4-3-5-25(38-2)26(24)23-15-22(32-33(23)21-8-6-20(30)7-9-21)27(34)31-29(28(35)36)18-11-16-10-17(13-18)14-19(29)12-16/h3-9,15-19H,10-14H2,1-2H3,(H,31,34)(H,35,36) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183339
(CHEMBL3818123)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N1CC[C@@H](C1)C(O)=O |r,wD:27.32,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.51,-7.48,;3.26,-8.38,;2.01,-7.47,;2.5,-6.01,;.55,-7.94,;.28,-9.14,;-.36,-7.11,)| Show InChI InChI=1S/C23H22FN3O5/c1-31-19-4-3-5-20(32-2)21(19)18-12-17(22(28)26-11-10-14(13-26)23(29)30)25-27(18)16-8-6-15(24)7-9-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,29,30)/t14-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183365
(CHEMBL3819203)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(=O)NCc1ccccc1 |r,wU:25.28,(3.74,-.92,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-3.74,-.92,;,-1.54,;,-3.08,;1.25,-3.96,;.77,-5.43,;-.77,-5.43,;-1.24,-3.97,;-2.71,-3.48,;-3.14,-2.01,;-4.63,-1.65,;-5.7,-2.76,;-6.89,-2.47,;-5.27,-4.24,;-3.77,-4.6,;1.68,-6.67,;2.9,-6.54,;1.05,-8.08,;1.96,-9.33,;3.49,-9.17,;4.12,-7.76,;5.65,-7.6,;6.55,-8.85,;5.92,-10.25,;4.39,-10.41,;1.33,-10.73,;.1,-10.86,;2.23,-11.98,;1.61,-13.39,;2.51,-14.64,;1.89,-16.04,;2.8,-17.29,;4.33,-17.13,;4.95,-15.72,;4.04,-14.47,)| Show InChI InChI=1S/C33H35FN4O4/c1-41-28-14-9-15-29(42-2)30(28)27-20-26(37-38(27)25-18-16-24(34)17-19-25)32(39)36-31(23-12-7-4-8-13-23)33(40)35-21-22-10-5-3-6-11-22/h3,5-6,9-11,14-20,23,31H,4,7-8,12-13,21H2,1-2H3,(H,35,40)(H,36,39)/t31-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183373
(CHEMBL3818388)Show SMILES COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](C2CCCCC2)C(O)=O)n(n1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H28FN3O5/c1-34-21-9-6-10-22(35-2)23(21)19-15-20(30(29-19)18-13-11-17(27)12-14-18)25(31)28-24(26(32)33)16-7-4-3-5-8-16/h6,9-16,24H,3-5,7-8H2,1-2H3,(H,28,31)(H,32,33)/t24-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183378
(CHEMBL3817963)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;4.07,-12.75,;5.61,-12.91,;6.51,-11.67,;5.89,-10.26,;6.18,-7.61,;6.91,-6.62,;6.67,-8.74,)| Show InChI InChI=1S/C27H24FN3O5/c1-35-23-9-6-10-24(36-2)25(23)22-16-20(30-31(22)19-13-11-18(28)12-14-19)26(32)29-21(27(33)34)15-17-7-4-3-5-8-17/h3-14,16,21H,15H2,1-2H3,(H,29,32)(H,33,34)/t21-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183335
(CHEMBL3818163)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)Nc1ccccc1C(O)=O |(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;6.18,-7.61,;6.8,-9.02,;5.89,-10.26,;4.36,-10.1,;3.74,-8.69,;2.21,-8.53,;1.7,-7.4,;1.48,-9.53,)| Show InChI InChI=1S/C25H20FN3O5/c1-33-21-8-5-9-22(34-2)23(21)20-14-19(28-29(20)16-12-10-15(26)11-13-16)24(30)27-18-7-4-3-6-17(18)25(31)32/h3-14H,1-2H3,(H,27,30)(H,31,32) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50019423
(CHEMBL3290105)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)NC1(CCCCC1)C(O)=O |(18.77,-17.38,;19.54,-16.04,;21.08,-16.04,;21.85,-17.38,;23.39,-17.38,;24.16,-16.04,;23.39,-14.71,;24.16,-13.38,;25.7,-13.38,;21.85,-14.71,;20.85,-12.98,;21.48,-11.57,;20.33,-10.54,;19,-11.31,;19.32,-12.81,;18.29,-13.96,;18.76,-15.42,;17.73,-16.57,;16.23,-16.25,;15.2,-17.39,;15.75,-14.78,;16.78,-13.64,;20.49,-9.01,;21.9,-8.38,;19.25,-8.1,;19.41,-6.57,;20.9,-7,;21.99,-5.92,;21.62,-4.43,;20.13,-4,;19.04,-5.09,;17.87,-6.68,;17.01,-5.4,;17.2,-8.06,)| Show InChI InChI=1S/C25H26FN3O5/c1-33-20-7-6-8-21(34-2)22(20)19-15-18(28-29(19)17-11-9-16(26)10-12-17)23(30)27-25(24(31)32)13-4-3-5-14-25/h6-12,15H,3-5,13-14H2,1-2H3,(H,27,30)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183379
(CHEMBL3819114)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@H](C(O)=O)c1ccccc1 |r,wD:25.31,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;6.18,-7.61,;6.68,-8.73,;6.9,-6.61,;3.74,-8.69,;4.36,-10.1,;3.44,-11.34,;1.91,-11.17,;1.29,-9.76,;2.21,-8.52,)| Show InChI InChI=1S/C26H22FN3O5/c1-34-21-9-6-10-22(35-2)23(21)20-15-19(29-30(20)18-13-11-17(27)12-14-18)25(31)28-24(26(32)33)16-7-4-3-5-8-16/h3-15,24H,1-2H3,(H,28,31)(H,32,33)/t24-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183344
(CHEMBL3818101)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)CC(O)=O |r,wU:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;6.18,-7.61,;6.8,-9.02,;8.02,-9.16,;6.07,-10.02,;3.74,-8.69,;4.36,-10.1,;5.58,-10.23,;3.63,-11.09,)| Show InChI InChI=1S/C25H28FN3O5/c1-15(2)12-17(13-23(30)31)27-25(32)19-14-20(24-21(33-3)6-5-7-22(24)34-4)29(28-19)18-10-8-16(26)9-11-18/h5-11,14-15,17H,12-13H2,1-4H3,(H,27,32)(H,30,31)/t17-/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 | 9.40E+3 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183346
(CHEMBL3356856)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:25.28,(59.81,-27.67,;60.52,-26.3,;59.69,-25.01,;58.16,-25.08,;57.32,-23.77,;58.04,-22.41,;59.58,-22.34,;60.29,-20.98,;59.47,-19.68,;60.4,-23.65,;61.93,-23.58,;62.4,-25.04,;63.94,-25.04,;64.42,-23.58,;63.17,-22.67,;63.17,-21.13,;64.51,-20.36,;64.5,-18.82,;63.17,-18.05,;63.16,-16.53,;61.83,-18.83,;61.84,-20.37,;64.85,-26.29,;64.22,-27.7,;66.38,-26.13,;67.28,-27.38,;68.81,-27.22,;69.72,-28.47,;71.25,-28.31,;69.09,-29.87,;66.65,-28.79,;65.12,-28.95,;67.55,-30.04,)| Show InChI InChI=1S/C24H26FN3O5/c1-14(2)12-18(24(30)31)26-23(29)17-13-19(22-20(32-3)6-5-7-21(22)33-4)28(27-17)16-10-8-15(25)9-11-16/h5-11,13-14,18H,12H2,1-4H3,(H,26,29)(H,30,31)/t18-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183348
(CHEMBL3819123)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCCCN)C(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;4.07,-12.75,;3.34,-13.75,;6.18,-7.61,;6.91,-6.62,;6.67,-8.74,)| Show InChI InChI=1S/C24H27FN4O5/c1-33-20-7-5-8-21(34-2)22(20)19-14-18(28-29(19)16-11-9-15(25)10-12-16)23(30)27-17(24(31)32)6-3-4-13-26/h5,7-12,14,17H,3-4,6,13,26H2,1-2H3,(H,27,30)(H,31,32)/t17-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183349
(CHEMBL3819384)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;4.07,-12.75,;3.16,-14,;3.78,-15.41,;5.01,-15.54,;2.87,-16.65,;3.49,-18.06,;2.77,-19.05,;4.72,-18.19,;3.99,-19.19,;6.18,-7.61,;6.91,-6.62,;6.67,-8.74,)| Show InChI InChI=1S/C29H35FN4O7/c1-29(2,3)41-28(38)31-16-7-6-9-20(27(36)37)32-26(35)21-17-22(25-23(39-4)10-8-11-24(25)40-5)34(33-21)19-14-12-18(30)13-15-19/h8,10-15,17,20H,6-7,9,16H2,1-5H3,(H,31,38)(H,32,35)(H,36,37)/t20-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183337
(CHEMBL3819496)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;6.18,-7.61,;6.67,-8.74,;6.91,-6.62,;3.74,-8.69,;2.51,-8.56,;4.23,-9.82,)| Show InChI InChI=1S/C23H24FN3O5/c1-13(2)21(23(29)30)25-22(28)16-12-17(20-18(31-3)6-5-7-19(20)32-4)27(26-16)15-10-8-14(24)9-11-15/h5-13,21H,1-4H3,(H,25,28)(H,29,30)/t21-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 2
(Rattus norvegicus) | BDBM50183341
(CHEMBL3817879)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;4.07,-12.75,;3.16,-13.99,;1.63,-13.82,;1.01,-12.41,;1.92,-11.17,;6.18,-7.61,;6.8,-9.02,;6.07,-10.02,;8.02,-9.16,)| Show InChI InChI=1S/C29H34FN3O5/c1-37-25-9-6-10-26(38-2)28(25)24-18-23(32-33(24)22-15-12-20(30)13-16-22)29(36)31-21(17-27(34)35)14-11-19-7-4-3-5-8-19/h6,9-10,12-13,15-16,18-19,21H,3-5,7-8,11,14,17H2,1-2H3,(H,31,36)(H,34,35)/t21-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
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CHEMBL
MCE
PC cid
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PubMed
| n/a | n/a | n/a | n/a | 3.41E+3 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Partial agonist activity at rat NTS2 receptor expressed in CHOK1 cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183366
(CHEMBL3818948)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(=O)N(C)C |r,wD:25.28,(3.74,-.92,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-3.74,-.92,;,-1.54,;,-3.08,;1.25,-3.96,;.77,-5.43,;-.77,-5.43,;-1.24,-3.97,;-2.71,-3.48,;-3.14,-2.01,;-4.63,-1.65,;-5.7,-2.76,;-6.89,-2.47,;-5.27,-4.24,;-3.77,-4.6,;1.68,-6.67,;2.9,-6.54,;1.05,-8.08,;1.96,-9.33,;1.33,-10.73,;2.23,-11.98,;1.6,-13.39,;.07,-13.55,;-.83,-12.3,;-.2,-10.89,;3.49,-9.16,;4.21,-10.16,;4.11,-7.75,;5.34,-7.62,;3.39,-6.76,)| Show InChI InChI=1S/C28H33FN4O4/c1-32(2)28(35)26(18-9-6-5-7-10-18)30-27(34)21-17-22(25-23(36-3)11-8-12-24(25)37-4)33(31-21)20-15-13-19(29)14-16-20/h8,11-18,26H,5-7,9-10H2,1-4H3,(H,30,34)/t26-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183341
(CHEMBL3817879)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;4.07,-12.75,;3.16,-13.99,;1.63,-13.82,;1.01,-12.41,;1.92,-11.17,;6.18,-7.61,;6.8,-9.02,;6.07,-10.02,;8.02,-9.16,)| Show InChI InChI=1S/C29H34FN3O5/c1-37-25-9-6-10-26(38-2)28(25)24-18-23(32-33(24)22-15-12-20(30)13-16-22)29(36)31-21(17-27(34)35)14-11-19-7-4-3-5-8-19/h6,9-10,12-13,15-16,18-19,21H,3-5,7-8,11,14,17H2,1-2H3,(H,31,36)(H,34,35)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 800 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50183363
(CHEMBL3818363)Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(=O)NO |r,wD:25.28,(3.74,-.92,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-3.74,-.92,;,-1.54,;,-3.08,;1.25,-3.96,;.77,-5.43,;-.77,-5.43,;-1.24,-3.97,;-2.71,-3.48,;-3.14,-2.01,;-4.63,-1.65,;-5.7,-2.76,;-6.89,-2.47,;-5.27,-4.24,;-3.77,-4.6,;1.68,-6.67,;2.9,-6.54,;1.05,-8.08,;1.96,-9.33,;1.33,-10.73,;2.23,-11.98,;1.6,-13.39,;.07,-13.55,;-.83,-12.3,;-.2,-10.89,;3.49,-9.16,;4.21,-10.16,;4.11,-7.75,;5.34,-7.62,)| Show InChI InChI=1S/C26H29FN4O5/c1-35-21-9-6-10-22(36-2)23(21)20-15-19(29-31(20)18-13-11-17(27)12-14-18)25(32)28-24(26(33)30-34)16-7-4-3-5-8-16/h6,9-16,24,34H,3-5,7-8H2,1-2H3,(H,28,32)(H,30,33)/t24-/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 | >3.00E+4 | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem 24: 3758-70 (2016)
Article DOI: 10.1016/j.bmc.2016.06.018
BindingDB Entry DOI: 10.7270/Q2MS3VPK |
More data for this
Ligand-Target Pair | |
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