Found 6095 hits of ec50 data for polymerid = 4795 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)) | BDBM422122
(2-butyl-1-(2,6- dimethoxyphenyl)-5-[4- (6-fluoropy...)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1 |(-9.34,.77,;-8,,;-6.67,.77,;-5.33,,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-1.33,2.31,;-1.33,.77,;;-2.67,,;-2.67,-1.54,;-4,-2.31,;-5.33,-1.54,;-6.67,-2.31,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;,3.08,;-.77,4.41,;.77,4.41,;1.33,2.31,;1.33,.77,;2.67,,;4,.77,;4,2.31,;2.67,3.08,;5.33,,;5.33,-1.54,;6.67,-2.31,;8,-1.54,;9.34,-2.31,;8,,;6.67,.77,)| Show InChI InChI=1S/C27H26FN3O6S/c1-4-5-9-23-30-26(32)25(27(33)31(23)24-20(36-2)7-6-8-21(24)37-3)38(34,35)19-13-10-17(11-14-19)18-12-15-22(28)29-16-18/h6-8,10-16,33H,4-5,9H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.00200 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM422138
(2-butyl-1-(2,6- dimethoxyphenyl)-6- hydroxy-5-[4-(...)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1cccnc1OC |(-8.67,.77,;-7.34,,;-6,.77,;-4.67,,;-3.33,.77,;-3.33,2.31,;-2,3.08,;-2,4.62,;-.67,2.31,;-.67,.77,;.67,,;-2,,;-2,-1.54,;-3.33,-2.31,;-4.67,-1.54,;-6,-2.31,;-3.33,-3.85,;-2,-4.62,;-.67,-3.85,;-.67,-2.31,;.67,-1.54,;2,-2.31,;.67,3.08,;-.1,4.41,;1.44,4.41,;2,2.31,;2,.77,;3.33,,;4.67,.77,;4.67,2.31,;3.33,3.08,;6,,;7.34,.77,;8.67,,;8.67,-1.54,;7.34,-2.31,;6,-1.54,;4.67,-2.31,;4.67,-3.85,)| Show InChI InChI=1S/C28H29N3O7S/c1-5-6-12-23-30-26(32)25(28(33)31(23)24-21(36-2)10-7-11-22(24)37-3)39(34,35)19-15-13-18(14-16-19)20-9-8-17-29-27(20)38-4/h7-11,13-17,33H,5-6,12H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM422140
(1-(2,6- dimethoxyphenyl)-5-[4- (6-fluoropyridin-3-...)Show SMILES COc1cccc(OC)c1-n1c(O)c(c(=O)nc1COC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1 |(-6.67,-2.31,;-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-4,2.31,;-4,.77,;-5.33,,;-6.67,.77,;-8,,;-9.34,.77,;-8,-1.54,;,3.08,;-.77,4.41,;.77,4.41,;1.33,2.31,;1.33,.77,;2.67,,;4,.77,;4,2.31,;2.67,3.08,;5.33,,;5.33,-1.54,;6.67,-2.31,;8,-1.54,;9.34,-2.31,;8,,;6.67,.77,)| Show InChI InChI=1S/C27H26FN3O7S/c1-16(2)38-15-23-30-26(32)25(27(33)31(23)24-20(36-3)6-5-7-21(24)37-4)39(34,35)19-11-8-17(9-12-19)18-10-13-22(28)29-14-18/h5-14,16,33H,15H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50014619
(CHEMBL3184840)Show SMILES CSCC[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)C)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)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/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 | 0.0120 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall... |
Bioorg Med Chem Lett 24: 4871-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.045
BindingDB Entry DOI: 10.7270/Q2D50PH2 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50567168
(CHEMBL4864542)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)C1CC1 |(40.9,-21.23,;42.23,-22,;43.57,-21.24,;44.9,-22,;46.23,-21.24,;46.24,-19.69,;47.56,-18.92,;47.56,-17.38,;48.9,-19.69,;48.91,-21.24,;50.24,-22,;47.57,-22.01,;47.57,-23.54,;48.9,-24.31,;50.23,-23.54,;51.57,-24.3,;48.91,-25.85,;47.57,-26.62,;46.23,-25.85,;46.23,-24.31,;44.9,-23.54,;43.57,-24.31,;50.23,-18.91,;49.45,-17.57,;51,-17.57,;51.57,-19.68,;51.57,-21.21,;52.9,-21.98,;54.23,-21.2,;54.22,-19.65,;52.89,-18.9,;55.57,-21.96,;56.35,-23.29,;57.11,-21.96,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588327
(CHEMBL5192130)Show SMILES COc1cccc(OC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(=O)nc1-c1cnn(C)c1 |(31.71,-25.37,;30.37,-24.6,;29.04,-25.38,;29.05,-26.93,;27.71,-27.7,;26.38,-26.93,;26.38,-25.39,;25.05,-24.62,;23.71,-25.39,;27.71,-24.62,;27.73,-22.03,;29.06,-21.27,;30.39,-22.03,;29.05,-19.73,;30.38,-18.95,;30.37,-17.41,;31.72,-19.72,;31.89,-21.24,;33.4,-21.55,;34.16,-20.21,;33.13,-19.07,;35.69,-20.04,;36.3,-18.64,;37.83,-18.47,;38.75,-19.71,;40.28,-19.54,;38.13,-21.12,;36.6,-21.29,;35.98,-22.7,;27.71,-18.96,;27.71,-17.42,;26.38,-19.74,;26.39,-21.28,;25.06,-22.06,;24.91,-23.59,;23.4,-23.92,;22.62,-22.6,;21.09,-22.45,;23.64,-21.44,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588333
(CHEMBL5202635)Show SMILES CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CC[C@H](C2)c2ncc(F)cc2F)c(=O)nc1-c1ccn(C)n1 |r,wD:19.22,(77.45,-40.32,;76.11,-39.55,;74.78,-40.33,;74.79,-41.88,;73.45,-42.65,;72.12,-41.88,;72.12,-40.34,;70.79,-39.57,;69.45,-40.34,;73.45,-39.56,;73.47,-36.98,;74.8,-36.21,;76.13,-36.98,;74.79,-34.68,;76.12,-33.9,;76.11,-32.36,;77.46,-34.66,;77.63,-36.19,;79.14,-36.5,;79.9,-35.16,;78.87,-34.02,;81.44,-34.99,;82.34,-36.24,;83.87,-36.07,;84.49,-34.66,;86.02,-34.49,;83.57,-33.42,;82.04,-33.59,;81.13,-32.35,;73.46,-33.91,;73.45,-32.37,;72.12,-34.69,;72.13,-36.23,;70.8,-37.01,;70.65,-38.54,;69.14,-38.87,;68.36,-37.54,;66.83,-37.4,;69.39,-36.39,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588331
(CHEMBL5193130)Show SMILES CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CCC(C2)c2c(F)cccc2F)c(=O)nc1-c1ccn(C)n1 |(35.11,-41.13,;33.77,-40.37,;32.44,-41.14,;32.45,-42.7,;31.11,-43.47,;29.78,-42.7,;29.78,-41.15,;28.44,-40.38,;27.11,-41.15,;31.11,-40.38,;31.13,-37.8,;32.45,-37.03,;33.79,-37.8,;32.45,-35.49,;33.78,-34.72,;33.77,-33.18,;35.12,-35.48,;35.29,-37,;36.8,-37.32,;37.56,-35.98,;36.53,-34.84,;39.09,-35.81,;40,-37.06,;39.38,-38.46,;41.53,-36.89,;42.15,-35.48,;41.23,-34.23,;39.7,-34.41,;38.79,-33.17,;31.11,-34.73,;31.11,-33.19,;29.78,-35.51,;29.79,-37.04,;28.46,-37.82,;28.31,-39.36,;26.8,-39.69,;26.02,-38.36,;24.49,-38.21,;27.04,-37.21,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588329
(CHEMBL5173464)Show SMILES COc1cccc(OC)c1-n1c(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2F)c(=O)nc1-c1ccn(C)n1 |r,wU:19.22,(75.12,-26.02,;73.78,-25.25,;72.45,-26.03,;72.46,-27.58,;71.12,-28.35,;69.78,-27.58,;69.79,-26.03,;68.45,-25.26,;67.12,-26.03,;71.12,-25.26,;71.13,-22.68,;72.46,-21.91,;73.8,-22.68,;72.46,-20.37,;73.79,-19.6,;73.78,-18.06,;75.12,-20.36,;75.3,-21.88,;76.81,-22.2,;77.57,-20.86,;76.54,-19.72,;79.1,-20.69,;79.71,-19.29,;81.24,-19.11,;82.16,-20.36,;81.54,-21.77,;80.01,-21.94,;79.38,-23.34,;71.12,-19.61,;71.12,-18.07,;69.79,-20.39,;69.8,-21.92,;68.47,-22.7,;68.32,-24.24,;66.81,-24.57,;66.03,-23.24,;64.5,-23.09,;67.05,-22.09,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588322
(CHEMBL5205562)Show SMILES CCOCc1nc(=O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(O)n1-c1c(OC)cccc1OC |(.98,-6.01,;2.32,-6.77,;3.65,-5.99,;4.99,-6.74,;6.32,-5.96,;6.3,-4.43,;7.64,-3.65,;7.63,-2.11,;8.98,-4.41,;10.31,-3.64,;10.3,-2.1,;11.64,-4.4,;11.82,-5.92,;13.33,-6.24,;14.09,-4.9,;13.05,-3.76,;15.62,-4.73,;16.23,-3.33,;17.76,-3.15,;18.68,-4.4,;20.21,-4.23,;18.05,-5.81,;16.53,-5.98,;15.9,-7.38,;8.98,-5.95,;10.32,-6.72,;7.65,-6.72,;7.66,-8.26,;8.99,-9.02,;10.32,-8.25,;11.66,-9.01,;9,-10.57,;7.66,-11.34,;6.33,-10.57,;6.33,-9.03,;4.99,-8.26,;3.66,-9.03,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM422180
(2-butyl-1-(2,6- dimethoxyphenyl)-6- hydroxy-5-[4-(...)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-n1ccccc1=O |(-8.67,.77,;-7.34,,;-6,.77,;-4.67,,;-3.33,.77,;-3.33,2.31,;-2,3.08,;-2,4.62,;-.67,2.31,;-.67,.77,;.67,,;-2,,;-2,-1.54,;-3.33,-2.31,;-4.67,-1.54,;-6,-2.31,;-3.33,-3.85,;-2,-4.62,;-.67,-3.85,;-.67,-2.31,;.67,-1.54,;2,-2.31,;.67,3.08,;-.1,4.41,;1.44,4.41,;2,2.31,;2,.77,;3.33,,;4.67,.77,;4.67,2.31,;3.33,3.08,;6,,;7.34,.77,;8.67,,;8.67,-1.54,;7.34,-2.31,;6,-1.54,;4.67,-2.31,)| Show InChI InChI=1S/C27H27N3O7S/c1-4-5-11-22-28-26(32)25(27(33)30(22)24-20(36-2)9-8-10-21(24)37-3)38(34,35)19-15-13-18(14-16-19)29-17-7-6-12-23(29)31/h6-10,12-17,33H,4-5,11H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588328
(CHEMBL5208127)Show SMILES COc1cccc(OC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(=O)nc1-c1ccn(C)n1 |(52.2,-24.92,;50.86,-24.15,;49.53,-24.93,;49.53,-26.48,;48.2,-27.25,;46.86,-26.48,;46.86,-24.93,;45.53,-24.16,;44.2,-24.94,;48.19,-24.16,;48.21,-21.58,;49.54,-20.81,;50.88,-21.58,;49.54,-19.28,;50.86,-18.5,;50.86,-16.96,;52.2,-19.26,;52.38,-20.79,;53.89,-21.1,;54.65,-19.76,;53.61,-18.62,;56.18,-19.59,;56.79,-18.19,;58.32,-18.02,;59.24,-19.26,;60.77,-19.09,;58.61,-20.67,;57.09,-20.84,;56.46,-22.25,;48.2,-18.51,;48.19,-16.97,;46.86,-19.29,;46.88,-20.83,;45.55,-21.61,;45.39,-23.14,;43.89,-23.47,;43.11,-22.14,;41.58,-22,;44.13,-20.99,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50567169
(CHEMBL4873876)Show SMILES CCOCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cn3)o2)c(O)c1-c1c(OC)cccc1OC |(19.32,-34.97,;20.66,-35.74,;21.99,-34.96,;23.33,-35.72,;24.66,-34.94,;24.64,-33.41,;25.98,-32.63,;25.97,-31.09,;27.32,-33.39,;28.65,-32.62,;28.8,-31.09,;30.31,-30.76,;31.08,-32.09,;32.61,-32.25,;33.24,-33.66,;34.77,-33.81,;35.4,-35.21,;34.5,-36.46,;35.12,-37.87,;32.96,-36.3,;32.34,-34.9,;30.05,-33.24,;27.32,-34.93,;28.65,-35.71,;25.99,-35.7,;26,-37.24,;24.67,-38.01,;23.34,-37.25,;22.01,-38.02,;24.67,-39.55,;26,-40.32,;27.34,-39.55,;27.33,-38,;28.67,-37.23,;30,-38,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0230 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 1 ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01878
BindingDB Entry DOI: 10.7270/Q20G3PXZ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50577755
(CHEMBL4861895)Show SMILES CCOCc1[nH]c(=O)c(-c2nnc(Cc3ccc(C)cn3)o2)c(O)c1-c1c(OC)cccc1OC |(56.32,-36.8,;57.65,-37.57,;58.99,-36.8,;60.32,-37.56,;61.65,-36.79,;61.65,-35.25,;62.99,-34.48,;62.99,-32.94,;64.32,-35.25,;65.66,-34.48,;67.06,-35.1,;68.09,-33.96,;67.32,-32.63,;67.95,-31.22,;69.48,-31.06,;70.1,-29.66,;71.62,-29.49,;72.54,-30.74,;74.07,-30.58,;71.91,-32.15,;70.38,-32.31,;65.81,-32.95,;64.32,-36.78,;65.66,-37.55,;62.99,-37.55,;63,-39.08,;64.33,-39.85,;65.66,-39.07,;67,-39.84,;64.34,-41.4,;63,-42.17,;61.66,-41.4,;61.67,-39.85,;60.33,-39.08,;59,-39.85,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0230 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor expressed in HEK293T cells assessed as compound stimulated inhibition of forskolin stimulated cAMP production ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00385
BindingDB Entry DOI: 10.7270/Q2M330MF |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50567169
(CHEMBL4873876)Show SMILES CCOCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cn3)o2)c(O)c1-c1c(OC)cccc1OC |(19.32,-34.97,;20.66,-35.74,;21.99,-34.96,;23.33,-35.72,;24.66,-34.94,;24.64,-33.41,;25.98,-32.63,;25.97,-31.09,;27.32,-33.39,;28.65,-32.62,;28.8,-31.09,;30.31,-30.76,;31.08,-32.09,;32.61,-32.25,;33.24,-33.66,;34.77,-33.81,;35.4,-35.21,;34.5,-36.46,;35.12,-37.87,;32.96,-36.3,;32.34,-34.9,;30.05,-33.24,;27.32,-34.93,;28.65,-35.71,;25.99,-35.7,;26,-37.24,;24.67,-38.01,;23.34,-37.25,;22.01,-38.02,;24.67,-39.55,;26,-40.32,;27.34,-39.55,;27.33,-38,;28.67,-37.23,;30,-38,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0230 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50577753
(CHEMBL4854412)Show SMILES CCCCc1nc(=O)c(C(=O)N2CC[C@H](C2)c2ccc(Cl)cn2)c(O)n1-c1c(OC)cccc1OC |r,wD:14.16,(65.16,-22.29,;66.5,-23.06,;67.83,-22.28,;69.16,-23.05,;70.51,-22.28,;70.51,-20.75,;71.84,-19.98,;71.83,-18.42,;73.16,-20.75,;74.5,-19.97,;74.5,-18.43,;75.83,-20.74,;75.99,-22.26,;77.5,-22.58,;78.27,-21.25,;77.24,-20.1,;79.8,-21.09,;80.7,-22.34,;82.23,-22.18,;82.86,-20.77,;84.39,-20.61,;81.94,-19.52,;80.42,-19.69,;73.17,-22.27,;74.5,-23.04,;71.84,-23.03,;71.84,-24.57,;73.17,-25.33,;74.5,-24.56,;75.84,-25.32,;73.18,-26.88,;71.84,-27.65,;70.51,-26.88,;70.51,-25.34,;69.18,-24.57,;67.84,-25.34,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0270 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor expressed in HEK293T cells assessed as compound stimulated inhibition of forskolin stimulated cAMP production ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00385
BindingDB Entry DOI: 10.7270/Q2M330MF |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50567164
(CHEMBL4848436)Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1cccnc1OC |(1.28,-54.76,;2.61,-55.53,;3.95,-54.76,;5.28,-55.53,;6.61,-54.76,;6.62,-53.22,;7.95,-52.45,;7.94,-50.91,;9.28,-53.21,;9.29,-54.76,;10.62,-55.53,;7.95,-55.53,;7.95,-57.07,;9.28,-57.83,;10.61,-57.06,;11.95,-57.83,;9.29,-59.37,;7.95,-60.15,;6.61,-59.38,;6.61,-57.84,;5.28,-57.07,;3.95,-57.83,;10.61,-52.43,;9.83,-51.09,;11.38,-51.09,;11.95,-53.2,;11.95,-54.74,;13.28,-55.5,;14.62,-54.73,;14.6,-53.18,;13.27,-52.42,;15.95,-55.49,;17.27,-54.71,;18.61,-55.47,;18.62,-57.02,;17.29,-57.79,;15.96,-57.03,;14.62,-57.81,;14.63,-59.35,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50567167
(CHEMBL4872192)Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-n1cc(Cl)ccc1=O |(2.32,-5.85,;3.65,-6.62,;4.99,-5.85,;6.33,-6.62,;7.66,-5.85,;7.66,-4.31,;8.99,-3.54,;8.98,-2,;10.32,-4.3,;10.33,-5.85,;11.66,-6.62,;8.99,-6.62,;8.99,-8.16,;10.32,-8.93,;11.66,-8.15,;12.99,-8.92,;10.33,-10.46,;8.99,-11.24,;7.66,-10.47,;7.66,-8.93,;6.32,-8.16,;4.99,-8.93,;11.65,-3.52,;10.87,-2.19,;12.42,-2.18,;12.99,-4.29,;12.99,-5.83,;14.33,-6.59,;15.66,-5.82,;15.65,-4.27,;14.31,-3.51,;16.99,-6.58,;17,-8.12,;18.33,-8.89,;18.34,-10.43,;19.67,-8.11,;19.65,-6.56,;18.32,-5.8,;18.3,-4.26,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM422160
(N-[4-(4-{[2-butyl-1- (2,6-dimethoxyphenyl)- 6-hydr...)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccnc(NC(=O)C2CC2)c1 |(-10.77,.77,;-9.44,,;-8.11,.77,;-6.77,,;-5.44,.77,;-5.44,2.31,;-4.1,3.08,;-4.1,4.62,;-2.77,2.31,;-2.77,.77,;-1.44,,;-4.1,,;-4.1,-1.54,;-5.44,-2.31,;-6.77,-1.54,;-8.11,-2.31,;-5.44,-3.85,;-4.1,-4.62,;-2.77,-3.85,;-2.77,-2.31,;-1.44,-1.54,;-.1,-2.31,;-1.44,3.08,;-2.21,4.41,;-.67,4.41,;-.1,2.31,;-.1,.77,;1.23,,;2.56,.77,;2.56,2.31,;1.23,3.08,;3.9,,;3.9,-1.54,;5.23,-2.31,;6.57,-1.54,;6.57,,;7.9,.77,;7.9,2.31,;6.57,3.08,;9.23,3.08,;10.77,3.08,;10,4.41,;5.23,.77,)| Show InChI InChI=1S/C31H32N4O7S/c1-4-5-9-26-34-30(37)28(31(38)35(26)27-23(41-2)7-6-8-24(27)42-3)43(39,40)22-14-12-19(13-15-22)21-16-17-32-25(18-21)33-29(36)20-10-11-20/h6-8,12-18,20,38H,4-5,9-11H2,1-3H3,(H,32,33,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588332
(CHEMBL5175424)Show SMILES CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ncccc2F)c(=O)nc1-c1ccn(C)n1 |(57.1,-39.85,;55.76,-39.09,;54.43,-39.86,;54.44,-41.41,;53.1,-42.18,;51.76,-41.41,;51.77,-39.87,;50.43,-39.1,;49.1,-39.87,;53.09,-39.1,;53.11,-36.52,;54.44,-35.75,;55.78,-36.52,;54.44,-34.21,;55.77,-33.43,;55.76,-31.89,;57.1,-34.2,;57.28,-35.72,;58.79,-36.03,;59.55,-34.7,;58.51,-33.56,;61.08,-34.53,;61.99,-35.77,;63.52,-35.61,;64.14,-34.19,;63.22,-32.95,;61.69,-33.12,;60.77,-31.89,;53.1,-33.44,;53.09,-31.9,;51.77,-34.22,;51.78,-35.76,;50.45,-36.54,;50.29,-38.07,;48.79,-38.41,;48.01,-37.08,;46.48,-36.93,;49.03,-35.93,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588326
(CHEMBL5202233)Show SMILES COc1cccc(OC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(=O)nc1-c1csc(C)n1 |(11.18,-24.55,;9.84,-23.79,;8.51,-24.56,;8.52,-26.11,;7.18,-26.88,;5.84,-26.11,;5.85,-24.57,;4.51,-23.8,;3.18,-24.57,;7.17,-23.8,;7.19,-21.22,;8.52,-20.45,;9.86,-21.22,;8.52,-18.91,;9.85,-18.14,;9.84,-16.6,;11.18,-18.9,;11.36,-20.42,;12.87,-20.73,;13.63,-19.4,;12.59,-18.26,;15.16,-19.23,;15.77,-17.82,;17.3,-17.65,;18.22,-18.9,;19.75,-18.72,;17.6,-20.31,;16.07,-20.47,;15.44,-21.88,;7.18,-18.14,;7.18,-16.6,;5.85,-18.93,;5.86,-20.46,;4.53,-21.24,;4.37,-22.77,;2.87,-23.11,;2.09,-21.78,;.56,-21.63,;3.11,-20.63,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM270203
((1R,2S,P)—N-(4-(2,4-dimethoxy-3-pyridinyl)-5-...)Show SMILES CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)ccnc1OC)c1ncc(C)cn1 |r,wU:2.1,3.3,(7.76,-2.26,;6.22,-2.26,;5.45,-.93,;3.91,-.93,;3.14,.41,;3.14,-2.26,;4.48,-3.03,;2.37,-3.59,;1.81,-1.49,;.48,-2.26,;.48,-3.8,;-.99,-4.27,;-1.89,-3.03,;-3.38,-2.63,;-3.78,-1.14,;-5.27,-.74,;-6.36,-1.83,;-5.96,-3.32,;-7.05,-4.41,;-8.53,-4.01,;-4.47,-3.72,;-.99,-1.78,;-1.53,.33,;-.44,1.42,;1.05,1.02,;2.14,2.11,;-.84,2.9,;-2.32,3.3,;-3.41,2.21,;-3.02,.73,;-4.1,-.36,;-5.59,.04,;6.22,.41,;7.76,.41,;8.53,1.74,;7.76,3.08,;8.53,4.41,;6.22,3.08,;5.45,1.74,)| Show InChI InChI=1S/C24H28N8O6S/c1-14-12-26-21(27-13-14)20(37-5)15(2)39(33,34)31-24-30-29-22(16-8-7-9-18(28-16)36-4)32(24)19-17(35-3)10-11-25-23(19)38-6/h7-13,15,20H,1-6H3,(H,30,31)/t15-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0320 | n/a | n/a | n/a | n/a |
AMGEN INC.
US Patent
| Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig... |
US Patent US9845310 (2017)
BindingDB Entry DOI: 10.7270/Q28P62TV |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM270203
((1R,2S,P)—N-(4-(2,4-dimethoxy-3-pyridinyl)-5-...)Show SMILES CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)ccnc1OC)c1ncc(C)cn1 |r,wU:2.1,3.3,(7.76,-2.26,;6.22,-2.26,;5.45,-.93,;3.91,-.93,;3.14,.41,;3.14,-2.26,;4.48,-3.03,;2.37,-3.59,;1.81,-1.49,;.48,-2.26,;.48,-3.8,;-.99,-4.27,;-1.89,-3.03,;-3.38,-2.63,;-3.78,-1.14,;-5.27,-.74,;-6.36,-1.83,;-5.96,-3.32,;-7.05,-4.41,;-8.53,-4.01,;-4.47,-3.72,;-.99,-1.78,;-1.53,.33,;-.44,1.42,;1.05,1.02,;2.14,2.11,;-.84,2.9,;-2.32,3.3,;-3.41,2.21,;-3.02,.73,;-4.1,-.36,;-5.59,.04,;6.22,.41,;7.76,.41,;8.53,1.74,;7.76,3.08,;8.53,4.41,;6.22,3.08,;5.45,1.74,)| Show InChI InChI=1S/C24H28N8O6S/c1-14-12-26-21(27-13-14)20(37-5)15(2)39(33,34)31-24-30-29-22(16-8-7-9-18(28-16)36-4)32(24)19-17(35-3)10-11-25-23(19)38-6/h7-13,15,20H,1-6H3,(H,30,31)/t15-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0320 | n/a | n/a | n/a | n/a |
AMGEN INC.
US Patent
| Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV™-3 expression vector (Si... |
US Patent US10221162 (2019)
BindingDB Entry DOI: 10.7270/Q2ZK5JXS |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM270203
((1R,2S,P)—N-(4-(2,4-dimethoxy-3-pyridinyl)-5-...)Show SMILES CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)ccnc1OC)c1ncc(C)cn1 |r,wU:2.1,3.3,(7.76,-2.26,;6.22,-2.26,;5.45,-.93,;3.91,-.93,;3.14,.41,;3.14,-2.26,;4.48,-3.03,;2.37,-3.59,;1.81,-1.49,;.48,-2.26,;.48,-3.8,;-.99,-4.27,;-1.89,-3.03,;-3.38,-2.63,;-3.78,-1.14,;-5.27,-.74,;-6.36,-1.83,;-5.96,-3.32,;-7.05,-4.41,;-8.53,-4.01,;-4.47,-3.72,;-.99,-1.78,;-1.53,.33,;-.44,1.42,;1.05,1.02,;2.14,2.11,;-.84,2.9,;-2.32,3.3,;-3.41,2.21,;-3.02,.73,;-4.1,-.36,;-5.59,.04,;6.22,.41,;7.76,.41,;8.53,1.74,;7.76,3.08,;8.53,4.41,;6.22,3.08,;5.45,1.74,)| Show InChI InChI=1S/C24H28N8O6S/c1-14-12-26-21(27-13-14)20(37-5)15(2)39(33,34)31-24-30-29-22(16-8-7-9-18(28-16)36-4)32(24)19-17(35-3)10-11-25-23(19)38-6/h7-13,15,20H,1-6H3,(H,30,31)/t15-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0320 | n/a | n/a | 7.5 | n/a |
AMGEN INC.
US Patent
| Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV¿-3 expression vector (Si... |
US Patent US10058550 (2018)
BindingDB Entry DOI: 10.7270/Q26T0PP0 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50577754
(CHEMBL4867145)Show SMILES CCCCc1nc(=O)c(C(=O)N2CC[C@@H](C2)c2ccc(Cl)cn2)c(O)n1-c1c(OC)cccc1OC |r,wU:14.16,(2.45,-36.58,;3.78,-37.34,;5.12,-36.57,;6.45,-37.34,;7.8,-36.57,;7.8,-35.04,;9.13,-34.27,;9.12,-32.71,;10.45,-35.03,;11.79,-34.25,;11.79,-32.71,;13.12,-35.02,;13.28,-36.55,;14.79,-36.87,;15.56,-35.54,;14.53,-34.39,;17.09,-35.38,;17.99,-36.63,;19.52,-36.47,;20.15,-35.06,;21.68,-34.9,;19.23,-33.81,;17.71,-33.97,;10.45,-36.56,;11.79,-37.32,;9.13,-37.32,;9.13,-38.86,;10.46,-39.62,;11.79,-38.85,;13.13,-39.61,;10.47,-41.17,;9.13,-41.94,;7.8,-41.17,;7.8,-39.63,;6.46,-38.86,;5.13,-39.63,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0320 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor expressed in HEK293T cells assessed as compound stimulated inhibition of forskolin stimulated cAMP production ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00385
BindingDB Entry DOI: 10.7270/Q2M330MF |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588330
(CHEMBL5197398)Show SMILES CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2F)c(=O)nc1-c1ccn(C)n1 |r,wU:19.22,(13.35,-41.59,;12.01,-40.83,;10.68,-41.6,;10.69,-43.15,;9.35,-43.93,;8.01,-43.15,;8.02,-41.61,;6.68,-40.84,;5.35,-41.61,;9.34,-40.84,;9.36,-38.26,;10.69,-37.49,;12.03,-38.26,;10.69,-35.95,;12.02,-35.18,;12.01,-33.64,;13.35,-35.94,;13.53,-37.46,;15.04,-37.77,;15.8,-36.44,;14.76,-35.3,;17.33,-36.27,;17.94,-34.87,;19.47,-34.69,;20.39,-35.94,;19.77,-37.35,;18.24,-37.52,;17.61,-38.92,;9.35,-35.18,;9.35,-33.64,;8.02,-35.97,;8.03,-37.5,;6.7,-38.28,;6.54,-39.82,;5.04,-40.15,;4.26,-38.82,;2.73,-38.67,;5.28,-37.67,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50567160
(CHEMBL4873216)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1cccnc1 |(55.23,-6.18,;56.56,-6.95,;57.89,-6.19,;59.23,-6.95,;60.56,-6.19,;60.56,-4.64,;61.89,-3.87,;61.89,-2.33,;63.23,-4.64,;63.23,-6.19,;64.57,-6.95,;61.89,-6.96,;61.9,-8.49,;63.23,-9.26,;64.56,-8.49,;65.89,-9.25,;63.23,-10.8,;61.89,-11.57,;60.56,-10.8,;60.56,-9.26,;59.23,-8.49,;57.89,-9.26,;64.55,-3.86,;63.78,-2.52,;65.32,-2.52,;65.89,-4.63,;65.89,-6.16,;67.23,-6.93,;68.56,-6.15,;68.55,-4.6,;67.21,-3.85,;69.9,-6.91,;71.22,-6.14,;72.56,-6.89,;72.57,-8.44,;71.24,-9.22,;69.9,-8.46,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50078006
(CHEMBL3417385)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)C)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)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(O)=O |r| | 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 | 0.0400 | n/a | n/a | n/a | n/a |
Universit£ de Sherbrooke
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ... |
J Med Chem 58: 2431-40 (2015)
Article DOI: 10.1021/jm501916k
BindingDB Entry DOI: 10.7270/Q21V5GNR |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50567163
(CHEMBL4863554)Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccncc1C |(53.9,-35.82,;55.23,-36.59,;56.57,-35.82,;57.9,-36.59,;59.23,-35.82,;59.24,-34.28,;60.57,-33.51,;60.56,-31.97,;61.9,-34.27,;61.91,-35.82,;63.24,-36.59,;60.57,-36.59,;60.57,-38.13,;61.9,-38.89,;63.23,-38.12,;64.57,-38.89,;61.91,-40.43,;60.57,-41.21,;59.23,-40.44,;59.23,-38.9,;57.9,-38.13,;56.57,-38.89,;63.23,-33.49,;62.45,-32.16,;64,-32.15,;64.57,-34.26,;64.57,-35.8,;65.9,-36.56,;67.24,-35.79,;67.22,-34.24,;65.89,-33.48,;68.57,-36.55,;69.89,-35.77,;71.23,-36.53,;71.24,-38.08,;69.91,-38.86,;68.58,-38.09,;67.24,-38.87,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50014619
(CHEMBL3184840)Show SMILES CSCC[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)C)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)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/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 | 0.0470 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ... |
J Med Chem 62: 10456-10465 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01513
BindingDB Entry DOI: 10.7270/Q2RN3C5X |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50014619
(CHEMBL3184840)Show SMILES CSCC[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)C)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)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/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 | 0.0500 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor expressed in HEK293T cells assessed as compound stimulated inhibition of forskolin stimulated cAMP production ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00385
BindingDB Entry DOI: 10.7270/Q2M330MF |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50014620
(CHEMBL414173)Show SMILES CSCC[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)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H111N23O16S/c1-39(2)32-47(86-58(98)44(17-9-26-78-68(73)74)83-63(103)52-20-12-29-91(52)65(105)45(18-10-27-79-69(75)76)84-56(96)42(71)22-23-54(72)94)59(99)89-50(37-93)61(101)87-48(34-41-35-77-38-81-41)60(100)82-43(16-7-8-25-70)57(97)80-36-55(95)90-28-11-19-51(90)62(102)85-46(24-31-109-3)66(106)92-30-13-21-53(92)64(104)88-49(67(107)108)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,93H,7-13,16-34,36-37,70-71H2,1-3H3,(H2,72,94)(H,77,81)(H,80,97)(H,82,100)(H,83,103)(H,84,96)(H,85,102)(H,86,98)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,73,74,78)(H4,75,76,79)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50014619
(CHEMBL3184840)Show SMILES CSCC[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)C)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)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/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 | 0.0500 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128882
BindingDB Entry DOI: 10.7270/Q29Z98TJ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50014619
(CHEMBL3184840)Show SMILES CSCC[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)C)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)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/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 | 0.0500 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 1 ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01878
BindingDB Entry DOI: 10.7270/Q20G3PXZ |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50567161
(CHEMBL4850818)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-n1cc(Cl)ccc1=O |(2.86,-35.48,;4.19,-36.25,;5.53,-35.48,;6.86,-36.24,;8.19,-35.48,;8.2,-33.94,;9.52,-33.16,;9.52,-31.62,;10.86,-33.93,;10.86,-35.48,;12.2,-36.25,;9.53,-36.25,;9.53,-37.79,;10.86,-38.55,;12.19,-37.78,;13.53,-38.54,;10.87,-40.09,;9.53,-40.87,;8.19,-40.09,;8.19,-38.55,;6.86,-37.78,;5.53,-38.55,;12.19,-33.15,;11.41,-31.81,;12.96,-31.81,;13.53,-33.92,;13.53,-35.45,;14.86,-36.22,;16.19,-35.44,;16.18,-33.9,;14.85,-33.14,;17.53,-36.21,;17.53,-37.75,;18.87,-38.51,;18.88,-40.05,;20.2,-37.73,;20.19,-36.19,;18.85,-35.43,;18.84,-33.89,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM422120
(1-(2,6- dimethoxyphenyl)-5-[4- (6-fluoropyridin-3-...)Show SMILES COc1cccc(OC)c1-n1c(O)c(c(=O)nc1CCC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1 |(-6.67,-2.31,;-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-4,2.31,;-4,.77,;-5.33,,;-6.67,.77,;-8,,;-9.34,.77,;-8,-1.54,;,3.08,;-.77,4.41,;.77,4.41,;1.33,2.31,;1.33,.77,;2.67,,;4,.77,;4,2.31,;2.67,3.08,;5.33,,;5.33,-1.54,;6.67,-2.31,;8,-1.54,;9.34,-2.31,;8,,;6.67,.77,)| Show InChI InChI=1S/C28H28FN3O6S/c1-17(2)8-15-24-31-27(33)26(28(34)32(24)25-21(37-3)6-5-7-22(25)38-4)39(35,36)20-12-9-18(10-13-20)19-11-14-23(29)30-16-19/h5-7,9-14,16-17,34H,8,15H2,1-4H3 | PDB
Reactome pathway
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TBA
| Assay Description
Agonist activity at human APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM448014
(US10689367, Example 342.0 | US10689367, Example 34...)Show SMILES CC[C@H](c1cc(F)cc(F)c1)n1c(NS(=O)(=O)[C@@H](C)[C@H](OC)c2ncc(Cl)cn2)nnc1-c1cccc(OC)n1 |r| Show InChI InChI=1S/C25H26ClF2N7O4S/c1-5-20(15-9-17(27)11-18(28)10-15)35-24(19-7-6-8-21(31-19)38-3)32-33-25(35)34-40(36,37)14(2)22(39-4)23-29-12-16(26)13-30-23/h6-14,20,22H,5H2,1-4H3,(H,33,34)/t14-,20+,22-/m0/s1 | PDB
Reactome pathway
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AMGEN INC.
US Patent
| Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV™-3 expression vector (Si... |
US Patent US10689367 (2020)
BindingDB Entry DOI: 10.7270/Q2P84FXK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM456669
(US10736883, Example 116.0)Show SMILES CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2ccc(C)o2)n1-c1c(OC)cccc1OC)c1ncc(F)cn1 |r,wU:3.3,2.1,(5.36,-4.06,;4.02,-3.29,;4.02,-1.75,;2.69,-.98,;2.69,.56,;1.35,-1.75,;.58,-3.09,;2.12,-3.09,;.02,-.98,;-1.44,-1.46,;-1.92,-2.93,;-3.46,-2.93,;-3.94,-1.46,;-5.4,-.98,;-5.88,.48,;-7.42,.48,;-7.89,-.98,;-9.36,-1.46,;-6.65,-1.89,;-2.69,-.56,;-2.69,.98,;-4.02,1.75,;-5.36,.98,;-6.69,1.75,;-4.02,3.29,;-2.69,4.06,;-1.36,3.29,;-1.36,1.75,;-.02,.98,;1.31,1.75,;5.36,-.98,;6.69,-1.75,;8.02,-.98,;8.02,.56,;9.36,1.33,;6.69,1.33,;5.36,.56,)| Show InChI InChI=1S/C23H25FN6O6S/c1-13-9-10-18(36-13)22-27-28-23(30(22)19-16(33-3)7-6-8-17(19)34-4)29-37(31,32)14(2)20(35-5)21-25-11-15(24)12-26-21/h6-12,14,20H,1-5H3,(H,28,29)/t14-,20-/m0/s1 | PDB
Reactome pathway
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AMGEN INC.
US Patent
| Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig... |
US Patent US10736883 (2020)
BindingDB Entry DOI: 10.7270/Q2JW8HXW |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50588316
(CHEMBL5170657)Show SMILES CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CC[C@H](C2)c2ncc(Cl)cc2F)c(=O)nc1-c1ccn(C)n1 |r,wD:19.22,(52.86,-13.07,;51.52,-12.3,;50.19,-13.08,;50.2,-14.63,;48.85,-15.4,;47.52,-14.63,;47.52,-13.08,;46.19,-12.31,;44.85,-13.08,;48.85,-12.31,;48.78,-9.76,;50.12,-9,;51.45,-9.76,;50.11,-7.46,;51.44,-6.68,;51.44,-5.14,;52.78,-7.45,;52.94,-8.98,;54.45,-9.29,;55.22,-7.96,;54.18,-6.81,;56.75,-7.79,;57.36,-6.38,;58.88,-6.21,;59.8,-7.46,;61.34,-7.3,;59.18,-8.87,;57.65,-9.04,;57.03,-10.45,;48.77,-6.69,;48.76,-5.15,;47.44,-7.47,;47.45,-9.01,;46.12,-9.79,;44.71,-9.16,;43.69,-10.32,;44.47,-11.65,;43.86,-13.06,;45.98,-11.32,)| | PDB
Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01504
BindingDB Entry DOI: 10.7270/Q21V5JX5 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM456867
(US10736883, Example 383.0)Show SMILES COc1ncnc(OC)c1\N=C(\NNC(=O)c1ccc(C)o1)NS(=O)(=O)[C@@H](C)[C@H](C)c1ncc(Cl)cn1 |r| Show InChI InChI=1S/C21H25ClN8O6S/c1-11-6-7-15(36-11)18(31)28-29-21(27-16-19(34-4)25-10-26-20(16)35-5)30-37(32,33)13(3)12(2)17-23-8-14(22)9-24-17/h6-10,12-13H,1-5H3,(H,28,31)(H2,27,29,30)/t12-,13-/m0/s1 | PDB
Reactome pathway
KEGG
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B.MOAD
antibodypedia
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| PC cid
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UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a |
AMGEN INC.
US Patent
| Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig... |
US Patent US10736883 (2020)
BindingDB Entry DOI: 10.7270/Q2JW8HXW |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM456670
(US10736883, Example 117.0)Show SMILES CCO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2ccc(C)o2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:4.4,wD:3.2,(5.36,-4.83,;5.36,-3.29,;4.02,-2.52,;4.02,-.98,;2.69,-.21,;2.69,1.33,;1.35,-.98,;.58,-2.32,;2.12,-2.32,;.02,-.21,;-1.44,-.69,;-1.92,-2.16,;-3.46,-2.16,;-3.94,-.69,;-5.4,-.21,;-5.88,1.25,;-7.42,1.25,;-7.89,-.21,;-9.36,-.69,;-6.65,-1.12,;-2.69,.21,;-2.69,1.75,;-4.02,2.52,;-5.36,1.75,;-6.69,2.52,;-4.02,4.06,;-2.69,4.83,;-1.36,4.06,;-1.36,2.52,;-.02,1.75,;1.31,2.52,;5.36,-.21,;6.69,-.98,;8.02,-.21,;8.02,1.33,;9.36,2.1,;6.69,2.1,;5.36,1.33,)| Show InChI InChI=1S/C25H30N6O6S/c1-7-36-22(23-26-13-15(2)14-27-23)17(4)38(32,33)30-25-29-28-24(20-12-11-16(3)37-20)31(25)21-18(34-5)9-8-10-19(21)35-6/h8-14,17,22H,7H2,1-6H3,(H,29,30)/t17-,22+/m0/s1 | PDB
Reactome pathway
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| PC cid
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UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0610 | n/a | n/a | n/a | n/a |
AMGEN INC.
US Patent
| Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig... |
US Patent US10736883 (2020)
BindingDB Entry DOI: 10.7270/Q2JW8HXW |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM50506019
(CHEMBL4473347)Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2cc(OC)ccc2[nH]1)c1ccccc1 |r,wD:3.37,(50.15,-45.98,;51.48,-45.21,;52.81,-45.98,;54.15,-45.21,;55.49,-45.97,;56.82,-45.2,;56.82,-43.66,;58.16,-45.97,;58.16,-47.52,;59.5,-48.28,;60.83,-47.51,;60.83,-45.97,;59.49,-45.2,;62.16,-45.2,;62.16,-43.66,;63.49,-45.97,;62.15,-48.28,;63.48,-47.51,;64.24,-46.17,;64.82,-48.28,;64.82,-49.83,;63.48,-50.6,;62.15,-49.83,;60.82,-50.6,;60.66,-52.13,;59.15,-52.45,;58.38,-53.78,;56.85,-53.78,;56.09,-55.11,;54.55,-55.11,;56.07,-52.44,;56.85,-51.12,;58.39,-51.12,;59.42,-49.98,;54.15,-43.67,;55.48,-42.9,;55.48,-41.36,;54.14,-40.59,;52.8,-41.37,;52.81,-42.9,)| Show InChI InChI=1S/C32H28ClN3O4/c1-3-8-26(19-9-5-4-6-10-19)36-31(37)20-13-15-22(24(17-20)32(38)39)29-23(11-7-12-25(29)33)30-34-27-16-14-21(40-2)18-28(27)35-30/h4-7,9-18,26H,3,8H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)/t26-/m1/s1 | PDB
Reactome pathway
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Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ... |
J Med Chem 62: 10456-10465 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01513
BindingDB Entry DOI: 10.7270/Q2RN3C5X |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM269647
((2S,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-ethoxy-2-p...)Show SMILES CCOc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:17.18,19.20,(-8.89,-5.43,;-8.12,-4.1,;-8.89,-2.76,;-8.12,-1.43,;-8.89,-.1,;-8.12,1.24,;-6.58,1.24,;-5.81,-.1,;-6.58,-1.43,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;3.56,-1.64,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)| Show InChI InChI=1S/C25H28FN7O5S/c1-6-38-21-12-7-9-18(29-21)24-30-31-25(33(24)22-19(36-4)10-8-11-20(22)37-5)32-39(34,35)16(3)15(2)23-27-13-17(26)14-28-23/h7-16H,6H2,1-5H3,(H,31,32)/t15-,16-/m0/s1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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antibodypedia
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| PC cid
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UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0620 | n/a | n/a | n/a | n/a |
AMGEN INC.
US Patent
| Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig... |
US Patent US9845310 (2017)
BindingDB Entry DOI: 10.7270/Q28P62TV |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM269647
((2S,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-ethoxy-2-p...)Show SMILES CCOc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:17.18,19.20,(-8.89,-5.43,;-8.12,-4.1,;-8.89,-2.76,;-8.12,-1.43,;-8.89,-.1,;-8.12,1.24,;-6.58,1.24,;-5.81,-.1,;-6.58,-1.43,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;3.56,-1.64,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)| Show InChI InChI=1S/C25H28FN7O5S/c1-6-38-21-12-7-9-18(29-21)24-30-31-25(33(24)22-19(36-4)10-8-11-20(22)37-5)32-39(34,35)16(3)15(2)23-27-13-17(26)14-28-23/h7-16H,6H2,1-5H3,(H,31,32)/t15-,16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0620 | n/a | n/a | 7.5 | n/a |
AMGEN INC.
US Patent
| Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV¿-3 expression vector (Si... |
US Patent US10058550 (2018)
BindingDB Entry DOI: 10.7270/Q26T0PP0 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM269647
((2S,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-ethoxy-2-p...)Show SMILES CCOc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:17.18,19.20,(-8.89,-5.43,;-8.12,-4.1,;-8.89,-2.76,;-8.12,-1.43,;-8.89,-.1,;-8.12,1.24,;-6.58,1.24,;-5.81,-.1,;-6.58,-1.43,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;3.56,-1.64,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)| Show InChI InChI=1S/C25H28FN7O5S/c1-6-38-21-12-7-9-18(29-21)24-30-31-25(33(24)22-19(36-4)10-8-11-20(22)37-5)32-39(34,35)16(3)15(2)23-27-13-17(26)14-28-23/h7-16H,6H2,1-5H3,(H,31,32)/t15-,16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0620 | n/a | n/a | n/a | n/a |
AMGEN INC.
US Patent
| Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV™-3 expression vector (Si... |
US Patent US10221162 (2019)
BindingDB Entry DOI: 10.7270/Q2ZK5JXS |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM447997
(US10689367, Example 325.0 | US10689367, Example 32...)Show SMILES CC[C@H]([C@@H]1CCCCO1)n1c(NS(=O)(=O)[C@@H](C)[C@H](OC)c2ncc(Cl)cn2)nnc1-c1cccc(OC)n1 |r| Show InChI InChI=1S/C24H32ClN7O5S/c1-5-18(19-10-6-7-12-37-19)32-23(17-9-8-11-20(28-17)35-3)29-30-24(32)31-38(33,34)15(2)21(36-4)22-26-13-16(25)14-27-22/h8-9,11,13-15,18-19,21H,5-7,10,12H2,1-4H3,(H,30,31)/t15-,18+,19-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0640 | n/a | n/a | n/a | n/a |
AMGEN INC.
US Patent
| Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV™-3 expression vector (Si... |
US Patent US10689367 (2020)
BindingDB Entry DOI: 10.7270/Q2P84FXK |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM269658
((1R,2S)-N-(4-(2,6-dimethoxyphenyl)-5-(6-ethoxy-2-p...)Show SMILES CCOc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OC)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:17.18,19.20,(-8.89,-5.43,;-8.12,-4.1,;-8.89,-2.76,;-8.12,-1.43,;-8.89,-.1,;-8.12,1.24,;-6.58,1.24,;-5.81,-.1,;-6.58,-1.43,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;3.56,-1.64,;2.22,-2.41,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)| Show InChI InChI=1S/C26H31N7O6S/c1-7-39-21-13-8-10-18(29-21)25-30-31-26(33(25)22-19(36-4)11-9-12-20(22)37-5)32-40(34,35)17(3)23(38-6)24-27-14-16(2)15-28-24/h8-15,17,23H,7H2,1-6H3,(H,31,32)/t17-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0650 | n/a | n/a | n/a | n/a |
AMGEN INC.
US Patent
| Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV™-3 expression vector (Si... |
US Patent US10221162 (2019)
BindingDB Entry DOI: 10.7270/Q2ZK5JXS |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM269658
((1R,2S)-N-(4-(2,6-dimethoxyphenyl)-5-(6-ethoxy-2-p...)Show SMILES CCOc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OC)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:17.18,19.20,(-8.89,-5.43,;-8.12,-4.1,;-8.89,-2.76,;-8.12,-1.43,;-8.89,-.1,;-8.12,1.24,;-6.58,1.24,;-5.81,-.1,;-6.58,-1.43,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;3.56,-1.64,;2.22,-2.41,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)| Show InChI InChI=1S/C26H31N7O6S/c1-7-39-21-13-8-10-18(29-21)25-30-31-26(33(25)22-19(36-4)11-9-12-20(22)37-5)32-40(34,35)17(3)23(38-6)24-27-14-16(2)15-28-24/h8-15,17,23H,7H2,1-6H3,(H,31,32)/t17-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0650 | n/a | n/a | n/a | n/a |
AMGEN INC.
US Patent
| Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig... |
US Patent US9845310 (2017)
BindingDB Entry DOI: 10.7270/Q28P62TV |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM269658
((1R,2S)-N-(4-(2,6-dimethoxyphenyl)-5-(6-ethoxy-2-p...)Show SMILES CCOc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OC)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:17.18,19.20,(-8.89,-5.43,;-8.12,-4.1,;-8.89,-2.76,;-8.12,-1.43,;-8.89,-.1,;-8.12,1.24,;-6.58,1.24,;-5.81,-.1,;-6.58,-1.43,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;3.56,-1.64,;2.22,-2.41,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)| Show InChI InChI=1S/C26H31N7O6S/c1-7-39-21-13-8-10-18(29-21)25-30-31-26(33(25)22-19(36-4)11-9-12-20(22)37-5)32-40(34,35)17(3)23(38-6)24-27-14-16(2)15-28-24/h8-15,17,23H,7H2,1-6H3,(H,31,32)/t17-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0650 | n/a | n/a | 7.5 | n/a |
AMGEN INC.
US Patent
| Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV¿-3 expression vector (Si... |
US Patent US10058550 (2018)
BindingDB Entry DOI: 10.7270/Q26T0PP0 |
More data for this
Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM269666
((2S,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-ethoxy-2-p...)Show SMILES CCOc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:17.18,19.20,(-8.89,-5.43,;-8.12,-4.1,;-8.89,-2.76,;-8.12,-1.43,;-8.89,-.1,;-8.12,1.24,;-6.58,1.24,;-5.81,-.1,;-6.58,-1.43,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;3.56,-1.64,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)| Show InChI InChI=1S/C26H31N7O5S/c1-7-38-22-13-8-10-19(29-22)25-30-31-26(33(25)23-20(36-5)11-9-12-21(23)37-6)32-39(34,35)18(4)17(3)24-27-14-16(2)15-28-24/h8-15,17-18H,7H2,1-6H3,(H,31,32)/t17-,18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.0680 | n/a | n/a | 7.5 | n/a |
AMGEN INC.
US Patent
| Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV¿-3 expression vector (Si... |
US Patent US10058550 (2018)
BindingDB Entry DOI: 10.7270/Q26T0PP0 |
More data for this
Ligand-Target Pair | |
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