Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50013537 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)) | 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
(Mus musculus) | 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
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 mouse 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | BDBM50567162
(CHEMBL4866318)Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1 |(27.58,-36.46,;28.91,-37.23,;30.24,-36.46,;31.58,-37.23,;32.91,-36.47,;32.91,-34.92,;34.24,-34.15,;34.24,-32.61,;35.58,-34.91,;35.58,-36.46,;36.92,-37.23,;34.24,-37.24,;34.25,-38.77,;35.58,-39.54,;36.91,-38.76,;38.24,-39.53,;35.58,-41.07,;34.24,-41.85,;32.91,-41.08,;32.91,-39.54,;31.58,-38.77,;30.24,-39.54,;36.9,-34.14,;36.13,-32.8,;37.67,-32.79,;38.24,-34.9,;38.24,-36.44,;39.58,-37.2,;40.91,-36.43,;40.9,-34.88,;39.56,-34.12,;42.25,-37.19,;42.25,-38.73,;43.59,-39.5,;44.92,-38.72,;46.26,-39.48,;44.9,-37.17,;43.57,-36.42,)| | 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 | 17 | 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)) | 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)) | 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)) | BDBM50567165
(CHEMBL4873432)Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1 |(27.06,-54.59,;28.39,-55.36,;29.72,-54.59,;31.06,-55.35,;32.39,-54.59,;32.39,-53.05,;33.72,-52.28,;33.72,-50.74,;35.06,-53.04,;35.06,-54.59,;36.4,-55.36,;33.72,-55.36,;33.73,-56.9,;35.06,-57.66,;36.39,-56.89,;37.72,-57.66,;35.06,-59.2,;33.72,-59.98,;32.39,-59.2,;32.39,-57.67,;31.06,-56.89,;29.72,-57.66,;36.39,-52.26,;35.61,-50.92,;37.16,-50.92,;37.72,-53.03,;37.72,-54.56,;39.06,-55.33,;40.39,-54.55,;40.38,-53.01,;39.04,-52.25,;41.73,-55.32,;43.05,-54.54,;44.39,-55.3,;44.4,-56.85,;45.74,-57.61,;43.07,-57.62,;41.73,-56.86,)| | 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 | 0.700 | 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)) | BDBM50567166
(CHEMBL4850182)Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-n1ccccc1=O |(54.82,-54.94,;56.15,-55.71,;57.48,-54.94,;58.82,-55.7,;60.15,-54.94,;60.15,-53.4,;61.48,-52.63,;61.48,-51.09,;62.82,-53.39,;62.82,-54.94,;64.16,-55.71,;61.48,-55.71,;61.49,-57.25,;62.82,-58.01,;64.15,-57.24,;65.48,-58.01,;62.82,-59.55,;61.48,-60.33,;60.15,-59.55,;60.15,-58.02,;58.82,-57.24,;57.48,-58.01,;64.15,-52.61,;63.37,-51.27,;64.91,-51.27,;65.48,-53.38,;65.48,-54.91,;66.82,-55.68,;68.15,-54.9,;68.14,-53.36,;66.8,-52.6,;69.49,-55.67,;69.49,-57.21,;70.83,-57.97,;72.16,-57.2,;72.15,-55.65,;70.81,-54.89,;70.8,-53.35,)| | 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 | 0.5 | 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)) | 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
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)) | 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)) | BDBM422110
(5-(benzenesulfonyl)-2- butyl-1-(2,6- dimethoxyphen...)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccccc1 |(-6.67,.77,;-5.33,,;-4,.77,;-2.67,,;-1.33,.77,;-1.33,2.31,;,3.08,;,4.62,;1.33,2.31,;1.33,.77,;2.67,,;;,-1.54,;-1.33,-2.31,;-2.67,-1.54,;-4,-2.31,;-1.33,-3.85,;,-4.62,;1.33,-3.85,;1.33,-2.31,;2.67,-1.54,;4,-2.31,;2.67,3.08,;1.9,4.41,;3.44,4.41,;4,2.31,;4,.77,;5.33,,;6.67,.77,;6.67,2.31,;5.33,3.08,)| Show InChI InChI=1S/C22H24N2O6S/c1-4-5-14-18-23-21(25)20(31(27,28)15-10-7-6-8-11-15)22(26)24(18)19-16(29-2)12-9-13-17(19)30-3/h6-13,26H,4-5,14H2,1-3H3 | 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 | 0.5 | 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)) | BDBM422171
(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(C)cc1 |(-7.34,.77,;-6,,;-4.67,.77,;-3.33,,;-2,.77,;-2,2.31,;-.67,3.08,;-.67,4.62,;.67,2.31,;.67,.77,;2,,;-.67,,;-.67,-1.54,;-2,-2.31,;-3.33,-1.54,;-4.67,-2.31,;-2,-3.85,;-.67,-4.62,;.67,-3.85,;.67,-2.31,;2,-1.54,;3.33,-2.31,;2,3.08,;1.23,4.41,;2.77,4.41,;3.33,2.31,;3.33,.77,;4.67,,;6,.77,;7.34,,;6,2.31,;4.67,3.08,)| Show InChI InChI=1S/C23H26N2O6S/c1-5-6-10-19-24-22(26)21(32(28,29)16-13-11-15(2)12-14-16)23(27)25(19)20-17(30-3)8-7-9-18(20)31-4/h7-9,11-14,27H,5-6,10H2,1-4H3 | 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 | 0.200 | 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)) | 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)) | BDBM422192
(2-cyclopentyl-5-(4- cyclopropylbenzene- sulfonyl)-...)Show SMILES COc1cccc(OC)c1-n1c(O)c(c(=O)nc1C1CCCC1)S(=O)(=O)c1ccc(cc1)C1CC1 |(-6.11,-2.31,;-4.77,-1.54,;-3.44,-2.31,;-3.44,-3.85,;-2.11,-4.62,;-.77,-3.85,;-.77,-2.31,;.56,-1.54,;1.89,-2.31,;-2.11,-1.54,;-2.11,,;-.77,.77,;.56,,;-.77,2.31,;-2.11,3.08,;-2.11,4.62,;-3.44,2.31,;-3.44,.77,;-4.77,,;-5.73,1.2,;-6.99,.38,;-7.44,-.71,;-5.96,-.98,;.56,3.08,;-.21,4.41,;1.33,4.41,;1.89,2.31,;1.89,.77,;3.23,,;4.56,.77,;4.56,2.31,;3.23,3.08,;5.9,,;6.67,-1.33,;7.44,,)| Show InChI InChI=1S/C26H28N2O6S/c1-33-20-8-5-9-21(34-2)22(20)28-24(18-6-3-4-7-18)27-25(29)23(26(28)30)35(31,32)19-14-12-17(13-15-19)16-10-11-16/h5,8-9,12-16,18,30H,3-4,6-7,10-11H2,1-2H3 | 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 | 0.300 | 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)) | BDBM422376
(5-(4- cyclopropylbenzene- sulfonyl)-1-(2,6- dimeth...)Show SMILES COc1cccc(OC)c1-n1c(O)c(c(=O)nc1-c1cncc(C)c1)S(=O)(=O)c1ccc(cc1)C1CC1 |(-6.18,-2.31,;-4.85,-1.54,;-3.51,-2.31,;-3.51,-3.85,;-2.18,-4.62,;-.85,-3.85,;-.85,-2.31,;.49,-1.54,;1.82,-2.31,;-2.18,-1.54,;-2.18,,;-.85,.77,;.49,,;-.85,2.31,;-2.18,3.08,;-2.18,4.62,;-3.51,2.31,;-3.51,.77,;-4.85,,;-5.62,-1.33,;-7.16,-1.33,;-7.93,,;-7.16,1.33,;-7.93,2.67,;-5.62,1.33,;.49,3.08,;-.28,4.41,;1.26,4.41,;1.98,2.68,;2.37,1.19,;3.86,.8,;4.95,1.88,;4.55,3.37,;3.06,3.77,;6.44,1.49,;7.53,.4,;7.93,1.88,)| Show InChI InChI=1S/C27H25N3O6S/c1-16-13-19(15-28-14-16)25-29-26(31)24(37(33,34)20-11-9-18(10-12-20)17-7-8-17)27(32)30(25)23-21(35-2)5-4-6-22(23)36-3/h4-6,9-15,17,32H,7-8H2,1-3H3 | 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 | 5 | 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)) | 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
(Rattus norvegicus) | 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
UniProtKB/SwissProt
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 rat 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
(Rattus norvegicus) | BDBM50567159
(CHEMBL4874447)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1 |(29.35,-6.37,;30.68,-7.14,;32.02,-6.37,;33.35,-7.14,;34.69,-6.37,;34.69,-4.83,;36.02,-4.06,;36.01,-2.52,;37.35,-4.82,;37.36,-6.37,;38.69,-7.14,;36.02,-7.15,;36.02,-8.68,;37.35,-9.45,;38.68,-8.67,;40.02,-9.44,;37.36,-10.98,;36.02,-11.76,;34.68,-10.99,;34.69,-9.45,;33.35,-8.68,;32.02,-9.45,;38.68,-4.04,;37.9,-2.71,;39.45,-2.7,;40.02,-4.81,;40.02,-6.35,;41.35,-7.11,;42.69,-6.34,;42.68,-4.79,;41.34,-4.03,;44.02,-7.1,;44.03,-8.64,;45.36,-9.41,;46.69,-8.63,;48.03,-9.39,;46.68,-7.08,;45.34,-6.33,)| | PDB
UniProtKB/SwissProt
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 rat 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
(Rattus norvegicus) | 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
UniProtKB/SwissProt
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 rat 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
(Rattus norvegicus) | 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
UniProtKB/SwissProt
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 rat 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
(Rattus norvegicus) | 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.00400 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at rat 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
(Rattus norvegicus) | 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
UniProtKB/SwissProt
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 rat 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
(Rattus norvegicus) | 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
UniProtKB/SwissProt
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 rat 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
(Rattus norvegicus) | BDBM50567162
(CHEMBL4866318)Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1 |(27.58,-36.46,;28.91,-37.23,;30.24,-36.46,;31.58,-37.23,;32.91,-36.47,;32.91,-34.92,;34.24,-34.15,;34.24,-32.61,;35.58,-34.91,;35.58,-36.46,;36.92,-37.23,;34.24,-37.24,;34.25,-38.77,;35.58,-39.54,;36.91,-38.76,;38.24,-39.53,;35.58,-41.07,;34.24,-41.85,;32.91,-41.08,;32.91,-39.54,;31.58,-38.77,;30.24,-39.54,;36.9,-34.14,;36.13,-32.8,;37.67,-32.79,;38.24,-34.9,;38.24,-36.44,;39.58,-37.2,;40.91,-36.43,;40.9,-34.88,;39.56,-34.12,;42.25,-37.19,;42.25,-38.73,;43.59,-39.5,;44.92,-38.72,;46.26,-39.48,;44.9,-37.17,;43.57,-36.42,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 72 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at rat 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
(Rattus norvegicus) | 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at rat 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
(Rattus norvegicus) | 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at rat 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
(Rattus norvegicus) | BDBM50567165
(CHEMBL4873432)Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1 |(27.06,-54.59,;28.39,-55.36,;29.72,-54.59,;31.06,-55.35,;32.39,-54.59,;32.39,-53.05,;33.72,-52.28,;33.72,-50.74,;35.06,-53.04,;35.06,-54.59,;36.4,-55.36,;33.72,-55.36,;33.73,-56.9,;35.06,-57.66,;36.39,-56.89,;37.72,-57.66,;35.06,-59.2,;33.72,-59.98,;32.39,-59.2,;32.39,-57.67,;31.06,-56.89,;29.72,-57.66,;36.39,-52.26,;35.61,-50.92,;37.16,-50.92,;37.72,-53.03,;37.72,-54.56,;39.06,-55.33,;40.39,-54.55,;40.38,-53.01,;39.04,-52.25,;41.73,-55.32,;43.05,-54.54,;44.39,-55.3,;44.4,-56.85,;45.74,-57.61,;43.07,-57.62,;41.73,-56.86,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at rat 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
(Rattus norvegicus) | BDBM50567166
(CHEMBL4850182)Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-n1ccccc1=O |(54.82,-54.94,;56.15,-55.71,;57.48,-54.94,;58.82,-55.7,;60.15,-54.94,;60.15,-53.4,;61.48,-52.63,;61.48,-51.09,;62.82,-53.39,;62.82,-54.94,;64.16,-55.71,;61.48,-55.71,;61.49,-57.25,;62.82,-58.01,;64.15,-57.24,;65.48,-58.01,;62.82,-59.55,;61.48,-60.33,;60.15,-59.55,;60.15,-58.02,;58.82,-57.24,;57.48,-58.01,;64.15,-52.61,;63.37,-51.27,;64.91,-51.27,;65.48,-53.38,;65.48,-54.91,;66.82,-55.68,;68.15,-54.9,;68.14,-53.36,;66.8,-52.6,;69.49,-55.67,;69.49,-57.21,;70.83,-57.97,;72.16,-57.2,;72.15,-55.65,;70.81,-54.89,;70.8,-53.35,)| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at rat 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
(Rattus norvegicus) | 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at rat 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
(Rattus norvegicus) | 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
UniProtKB/SwissProt
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 rat 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
(Rattus norvegicus) | 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
UniProtKB/SwissProt
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 rat 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
(Rattus norvegicus) | BDBM422110
(5-(benzenesulfonyl)-2- butyl-1-(2,6- dimethoxyphen...)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccccc1 |(-6.67,.77,;-5.33,,;-4,.77,;-2.67,,;-1.33,.77,;-1.33,2.31,;,3.08,;,4.62,;1.33,2.31,;1.33,.77,;2.67,,;;,-1.54,;-1.33,-2.31,;-2.67,-1.54,;-4,-2.31,;-1.33,-3.85,;,-4.62,;1.33,-3.85,;1.33,-2.31,;2.67,-1.54,;4,-2.31,;2.67,3.08,;1.9,4.41,;3.44,4.41,;4,2.31,;4,.77,;5.33,,;6.67,.77,;6.67,2.31,;5.33,3.08,)| Show InChI InChI=1S/C22H24N2O6S/c1-4-5-14-18-23-21(25)20(31(27,28)15-10-7-6-8-11-15)22(26)24(18)19-16(29-2)12-9-13-17(19)30-3/h6-13,26H,4-5,14H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at rat 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
(Rattus norvegicus) | BDBM422171
(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(C)cc1 |(-7.34,.77,;-6,,;-4.67,.77,;-3.33,,;-2,.77,;-2,2.31,;-.67,3.08,;-.67,4.62,;.67,2.31,;.67,.77,;2,,;-.67,,;-.67,-1.54,;-2,-2.31,;-3.33,-1.54,;-4.67,-2.31,;-2,-3.85,;-.67,-4.62,;.67,-3.85,;.67,-2.31,;2,-1.54,;3.33,-2.31,;2,3.08,;1.23,4.41,;2.77,4.41,;3.33,2.31,;3.33,.77,;4.67,,;6,.77,;7.34,,;6,2.31,;4.67,3.08,)| Show InChI InChI=1S/C23H26N2O6S/c1-5-6-10-19-24-22(26)21(32(28,29)16-13-11-15(2)12-14-16)23(27)25(19)20-17(30-3)8-7-9-18(20)31-4/h7-9,11-14,27H,5-6,10H2,1-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at rat 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
(Rattus norvegicus) | 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at rat 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
(Rattus norvegicus) | BDBM422192
(2-cyclopentyl-5-(4- cyclopropylbenzene- sulfonyl)-...)Show SMILES COc1cccc(OC)c1-n1c(O)c(c(=O)nc1C1CCCC1)S(=O)(=O)c1ccc(cc1)C1CC1 |(-6.11,-2.31,;-4.77,-1.54,;-3.44,-2.31,;-3.44,-3.85,;-2.11,-4.62,;-.77,-3.85,;-.77,-2.31,;.56,-1.54,;1.89,-2.31,;-2.11,-1.54,;-2.11,,;-.77,.77,;.56,,;-.77,2.31,;-2.11,3.08,;-2.11,4.62,;-3.44,2.31,;-3.44,.77,;-4.77,,;-5.73,1.2,;-6.99,.38,;-7.44,-.71,;-5.96,-.98,;.56,3.08,;-.21,4.41,;1.33,4.41,;1.89,2.31,;1.89,.77,;3.23,,;4.56,.77,;4.56,2.31,;3.23,3.08,;5.9,,;6.67,-1.33,;7.44,,)| Show InChI InChI=1S/C26H28N2O6S/c1-33-20-8-5-9-21(34-2)22(20)28-24(18-6-3-4-7-18)27-25(29)23(26(28)30)35(31,32)19-14-12-17(13-15-19)16-10-11-16/h5,8-9,12-16,18,30H,3-4,6-7,10-11H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at rat 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
(Rattus norvegicus) | BDBM422376
(5-(4- cyclopropylbenzene- sulfonyl)-1-(2,6- dimeth...)Show SMILES COc1cccc(OC)c1-n1c(O)c(c(=O)nc1-c1cncc(C)c1)S(=O)(=O)c1ccc(cc1)C1CC1 |(-6.18,-2.31,;-4.85,-1.54,;-3.51,-2.31,;-3.51,-3.85,;-2.18,-4.62,;-.85,-3.85,;-.85,-2.31,;.49,-1.54,;1.82,-2.31,;-2.18,-1.54,;-2.18,,;-.85,.77,;.49,,;-.85,2.31,;-2.18,3.08,;-2.18,4.62,;-3.51,2.31,;-3.51,.77,;-4.85,,;-5.62,-1.33,;-7.16,-1.33,;-7.93,,;-7.16,1.33,;-7.93,2.67,;-5.62,1.33,;.49,3.08,;-.28,4.41,;1.26,4.41,;1.98,2.68,;2.37,1.19,;3.86,.8,;4.95,1.88,;4.55,3.37,;3.06,3.77,;6.44,1.49,;7.53,.4,;7.93,1.88,)| Show InChI InChI=1S/C27H25N3O6S/c1-16-13-19(15-28-14-16)25-29-26(31)24(37(33,34)20-11-9-18(10-12-20)17-7-8-17)27(32)30(25)23-21(35-2)5-4-6-22(23)36-3/h4-6,9-15,17,32H,7-8H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at rat 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
(Rattus norvegicus) | 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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0240 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at rat 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
(Mus musculus) | 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
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 mouse 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
(Mus musculus) | BDBM50567159
(CHEMBL4874447)Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1 |(29.35,-6.37,;30.68,-7.14,;32.02,-6.37,;33.35,-7.14,;34.69,-6.37,;34.69,-4.83,;36.02,-4.06,;36.01,-2.52,;37.35,-4.82,;37.36,-6.37,;38.69,-7.14,;36.02,-7.15,;36.02,-8.68,;37.35,-9.45,;38.68,-8.67,;40.02,-9.44,;37.36,-10.98,;36.02,-11.76,;34.68,-10.99,;34.69,-9.45,;33.35,-8.68,;32.02,-9.45,;38.68,-4.04,;37.9,-2.71,;39.45,-2.7,;40.02,-4.81,;40.02,-6.35,;41.35,-7.11,;42.69,-6.34,;42.68,-4.79,;41.34,-4.03,;44.02,-7.1,;44.03,-8.64,;45.36,-9.41,;46.69,-8.63,;48.03,-9.39,;46.68,-7.08,;45.34,-6.33,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at mouse 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
(Mus musculus) | 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
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 mouse 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
(Mus musculus) | 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
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 mouse 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
(Mus musculus) | 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
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 mouse 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
(Mus musculus) | 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
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 mouse 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
(Mus musculus) | 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
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 mouse 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
(Mus musculus) | BDBM50567162
(CHEMBL4866318)Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1 |(27.58,-36.46,;28.91,-37.23,;30.24,-36.46,;31.58,-37.23,;32.91,-36.47,;32.91,-34.92,;34.24,-34.15,;34.24,-32.61,;35.58,-34.91,;35.58,-36.46,;36.92,-37.23,;34.24,-37.24,;34.25,-38.77,;35.58,-39.54,;36.91,-38.76,;38.24,-39.53,;35.58,-41.07,;34.24,-41.85,;32.91,-41.08,;32.91,-39.54,;31.58,-38.77,;30.24,-39.54,;36.9,-34.14,;36.13,-32.8,;37.67,-32.79,;38.24,-34.9,;38.24,-36.44,;39.58,-37.2,;40.91,-36.43,;40.9,-34.88,;39.56,-34.12,;42.25,-37.19,;42.25,-38.73,;43.59,-39.5,;44.92,-38.72,;46.26,-39.48,;44.9,-37.17,;43.57,-36.42,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at mouse 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 | |
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