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Compile Data Set for Download or QSAR

Found 126 hits Enz. Inhib. hit(s) with all data for entry = 50011080   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Apelin receptor


(Homo sapiens (Human))
BDBM50014619
PNG
(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
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1n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation count...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544744
PNG
(CHEMBL4647996)
Show SMILES CCC(O)CNC(=O)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:9.9,(23.75,-9.44,;22.42,-8.67,;21.08,-9.44,;21.09,-10.98,;19.75,-8.68,;18.42,-9.45,;17.08,-8.68,;17.08,-7.14,;15.75,-9.45,;14.41,-8.69,;14.41,-7.15,;15.74,-6.37,;15.74,-4.83,;17.07,-4.07,;17.08,-2.53,;15.74,-1.76,;14.41,-2.53,;14.4,-4.07,;13.08,-9.46,;11.75,-8.69,;11.74,-7.15,;10.41,-9.46,;9.01,-8.84,;7.98,-9.98,;6.44,-9.83,;5.82,-8.43,;6.72,-7.18,;6.09,-5.77,;4.29,-8.26,;3.38,-9.51,;4,-10.92,;5.53,-11.09,;6.16,-12.49,;5.25,-13.74,;8.75,-11.32,;8.13,-12.72,;9.04,-13.96,;8.43,-15.37,;10.58,-13.79,;10.26,-10.99,)|
Show InChI InChI=1S/C31H48N4O5/c1-6-24(36)19-32-29(37)17-23(16-15-22-11-8-7-9-12-22)33-31(38)25-18-26(35(34-25)20-21(2)3)30-27(39-4)13-10-14-28(30)40-5/h10,13-14,18,21-24,36H,6-9,11-12,15-17,19-20H2,1-5H3,(H,32,37)(H,33,38)/t23-,24?/m0/s1
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36n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation count...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544735
PNG
(CHEMBL4640815)
Show SMILES CC[C@@H](O)CNC(=O)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:9.9,2.2,(52.82,-9.06,;51.48,-8.29,;50.15,-9.06,;50.15,-10.6,;48.81,-8.3,;47.48,-9.07,;46.15,-8.3,;46.14,-6.76,;44.81,-9.07,;43.48,-8.3,;43.48,-6.76,;44.81,-5.99,;44.81,-4.45,;46.14,-3.68,;46.14,-2.15,;44.81,-1.38,;43.47,-2.15,;43.47,-3.69,;42.15,-9.08,;40.81,-8.31,;40.81,-6.77,;39.48,-9.08,;38.07,-8.46,;37.04,-9.6,;35.51,-9.45,;34.88,-8.04,;35.78,-6.8,;35.16,-5.39,;33.35,-7.88,;32.44,-9.13,;33.06,-10.54,;34.6,-10.7,;35.22,-12.11,;34.32,-13.36,;37.82,-10.94,;37.2,-12.34,;38.11,-13.58,;37.49,-14.99,;39.64,-13.41,;39.32,-10.61,)|
Show InChI InChI=1S/C31H48N4O5/c1-6-24(36)19-32-29(37)17-23(16-15-22-11-8-7-9-12-22)33-31(38)25-18-26(35(34-25)20-21(2)3)30-27(39-4)13-10-14-28(30)40-5/h10,13-14,18,21-24,36H,6-9,11-12,15-17,19-20H2,1-5H3,(H,32,37)(H,33,38)/t23-,24+/m0/s1
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38n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation count...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544720
PNG
(CHEMBL4632564)
Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:22.24,(36.18,-25.4,;36.81,-26.8,;35.91,-28.05,;34.38,-27.89,;33.47,-29.13,;34.09,-30.54,;35.63,-30.71,;36.25,-32.12,;35.35,-33.36,;36.54,-29.45,;38.07,-29.61,;39.1,-28.46,;40.51,-29.09,;40.35,-30.62,;38.84,-30.94,;38.22,-32.35,;39.14,-33.59,;38.52,-35,;40.67,-33.42,;41.84,-28.31,;41.84,-26.77,;43.17,-29.08,;44.51,-28.31,;44.5,-26.77,;45.84,-26,;45.83,-24.46,;47.17,-23.69,;47.17,-22.16,;45.84,-21.38,;44.5,-22.15,;44.5,-23.7,;45.84,-29.08,;47.17,-28.3,;47.17,-26.76,;48.51,-29.07,;49.84,-28.3,;51.33,-28.7,;51.73,-27.21,;50.24,-26.81,)|
Show InChI InChI=1S/C31H46N4O4/c1-21(2)20-35-26(30-27(38-3)14-9-15-28(30)39-4)19-25(34-35)31(37)33-24(17-16-22-10-6-5-7-11-22)18-29(36)32-23-12-8-13-23/h9,14-15,19,21-24H,5-8,10-13,16-18,20H2,1-4H3,(H,32,36)(H,33,37)/t24-/m0/s1
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54n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation count...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544742
PNG
(CHEMBL4647910)
Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:23.26,(36.48,-46.53,;37.11,-47.94,;36.21,-49.19,;34.68,-49.03,;33.77,-50.28,;34.39,-51.69,;35.92,-51.85,;36.55,-53.26,;35.64,-54.5,;36.83,-50.59,;38.37,-50.75,;39.4,-49.6,;40.81,-50.23,;40.65,-51.76,;39.14,-52.08,;38.52,-53.49,;37.03,-53.82,;36.88,-55.34,;38.28,-55.96,;39.31,-54.82,;42.14,-49.45,;42.13,-47.91,;43.47,-50.22,;44.8,-49.45,;44.8,-47.91,;46.13,-47.14,;46.13,-45.6,;47.46,-44.83,;47.46,-43.3,;46.13,-42.52,;44.8,-43.29,;44.79,-44.84,;46.14,-50.22,;47.47,-49.44,;47.47,-47.9,;48.81,-50.22,;50.14,-49.44,;51.63,-49.84,;52.02,-48.35,;50.54,-47.95,)|
Show InChI InChI=1S/C32H46N4O4/c1-39-28-16-9-17-29(40-2)31(28)27-21-26(35-36(27)25-14-6-7-15-25)32(38)34-24(19-18-22-10-4-3-5-11-22)20-30(37)33-23-12-8-13-23/h9,16-17,21-25H,3-8,10-15,18-20H2,1-2H3,(H,33,37)(H,34,38)/t24-/m0/s1
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59n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation count...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544721
PNG
(CHEMBL4644803)
Show SMILES CCCn1nc(cc1-c1c(OC)cccc1OC)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:21.23,(9.06,-56.14,;9.67,-54.73,;8.76,-53.49,;9.38,-52.08,;10.89,-51.76,;11.04,-50.23,;9.64,-49.6,;8.61,-50.75,;7.07,-50.59,;6.45,-49.19,;7.35,-47.94,;6.72,-46.54,;4.92,-49.03,;4.01,-50.27,;4.63,-51.68,;6.16,-51.85,;6.79,-53.26,;5.88,-54.5,;12.38,-49.45,;12.37,-47.91,;13.71,-50.22,;15.04,-49.45,;15.04,-47.91,;16.37,-47.14,;16.37,-45.6,;17.7,-44.83,;17.71,-43.3,;16.37,-42.52,;15.04,-43.29,;15.03,-44.84,;16.38,-50.22,;17.71,-49.44,;17.71,-47.9,;19.05,-50.21,;20.38,-49.44,;21.87,-49.84,;22.27,-48.35,;20.78,-47.95,)|
Show InChI InChI=1S/C30H44N4O4/c1-4-18-34-25(29-26(37-2)14-9-15-27(29)38-3)20-24(33-34)30(36)32-23(17-16-21-10-6-5-7-11-21)19-28(35)31-22-12-8-13-22/h9,14-15,20-23H,4-8,10-13,16-19H2,1-3H3,(H,31,35)(H,32,36)/t23-/m0/s1
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60n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation count...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544753
PNG
(CHEMBL4642754)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-c1ccc2-[#6](=[#6]-3-[#6]=[#6]\[#6](-[#6]=[#6]-3-c2c1)=[#7+](\[#6]-[#6])-[#6]-[#6])-c1ccc(cc1S([#8-])(=O)=O)S(=O)(=O)[#7]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1csc(=[#7])n1-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cn(-[#6]-c2ccccc2)c[n+]1-[#6])-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1 |r,c:11,14,t:9|
Show InChI InChI=1S/C60H76N12O9S3/c1-8-71(9-2)42-20-23-47-50(31-42)51-32-43(72(10-3)11-4)21-24-48(51)56(47)49-25-22-46(35-54(49)84(79,80)81)83(77,78)66-60(76)62-28-16-15-19-52(64-55(73)34-45-38-82-59(61)69(45)7)57(74)65-53(58(75)63-41-26-29-67(5)30-27-41)33-44-37-70(39-68(44)6)36-40-17-13-12-14-18-40/h12-14,17-18,20-25,31-32,35,37-39,41,52-53,61H,8-11,15-16,19,26-30,33-34,36H2,1-7H3,(H4-2,62,63,64,65,66,73,74,75,76,79,80,81)/p+1/t52-,53-/m0/s1
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89n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-apelin-13 from EGFP-fused human APJ receptor delta16 mutant stably expressed in HEK293 cells by FRET assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544749
PNG
(CHEMBL4640653)
Show SMILES COC(=O)CN(C)C(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:9.9,(52.52,-48.16,;51.18,-48.93,;49.85,-48.16,;49.85,-46.62,;48.52,-48.94,;47.18,-48.17,;47.18,-46.63,;45.85,-48.94,;45.85,-50.48,;44.51,-48.17,;44.51,-46.63,;45.84,-45.86,;45.84,-44.32,;47.17,-43.55,;47.17,-42.02,;45.84,-41.24,;44.51,-42.01,;44.5,-43.56,;43.18,-48.95,;41.85,-48.18,;41.84,-46.64,;40.51,-48.95,;39.11,-48.33,;38.08,-49.47,;36.54,-49.32,;35.92,-47.91,;36.82,-46.67,;36.19,-45.26,;34.39,-47.75,;33.48,-49,;34.1,-50.41,;35.63,-50.57,;36.26,-51.98,;35.35,-53.22,;38.85,-50.8,;38.23,-52.21,;39.14,-53.45,;38.53,-54.86,;40.67,-53.28,;40.36,-50.48,)|
Show InChI InChI=1S/C30H38N4O6/c1-20(2)18-34-24(28-25(38-4)13-10-14-26(28)39-5)17-23(32-34)29(36)31-22(16-15-21-11-8-7-9-12-21)30(37)33(3)19-27(35)40-6/h7-14,17,20,22H,15-16,18-19H2,1-6H3,(H,31,36)/t22-/m0/s1
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134n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation count...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544729
PNG
(CHEMBL4647391)
Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:24.27,(64.94,-45.08,;65.56,-46.49,;64.66,-47.74,;63.14,-47.58,;62.22,-48.82,;62.84,-50.23,;64.38,-50.4,;65.01,-51.81,;64.1,-53.05,;65.29,-49.14,;66.82,-49.3,;67.85,-48.15,;69.26,-48.78,;69.1,-50.31,;67.6,-50.63,;66.98,-52.04,;65.46,-52.2,;64.84,-53.6,;65.74,-54.84,;67.27,-54.67,;67.9,-53.26,;70.6,-48,;70.59,-46.46,;71.92,-48.77,;73.26,-48,;73.25,-46.46,;74.59,-45.69,;74.59,-44.15,;75.92,-43.38,;75.92,-41.84,;74.59,-41.07,;73.25,-41.84,;73.25,-43.38,;74.59,-48.77,;75.93,-47.99,;75.92,-46.45,;77.26,-48.76,;78.6,-47.99,;80.09,-48.38,;80.48,-46.9,;78.99,-46.5,)|
Show InChI InChI=1S/C33H48N4O4/c1-40-29-17-10-18-30(41-2)32(29)28-22-27(36-37(28)26-15-7-4-8-16-26)33(39)35-25(20-19-23-11-5-3-6-12-23)21-31(38)34-24-13-9-14-24/h10,17-18,22-26H,3-9,11-16,19-21H2,1-2H3,(H,34,38)(H,35,39)/t25-/m0/s1
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147n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation count...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544736
PNG
(CHEMBL4647853)
Show SMILES CCC(=O)CNC(=O)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:9.9,(82.42,-8.46,;81.08,-7.69,;79.75,-8.46,;79.75,-10,;78.42,-7.7,;77.08,-8.47,;75.75,-7.7,;75.75,-6.16,;74.42,-8.47,;73.08,-7.71,;73.08,-6.17,;74.41,-5.39,;74.41,-3.85,;75.74,-3.09,;75.74,-1.55,;74.41,-.78,;73.08,-1.55,;73.07,-3.09,;71.75,-8.48,;70.41,-7.71,;70.41,-6.17,;69.08,-8.48,;67.67,-7.86,;66.65,-9,;65.11,-8.85,;64.48,-7.45,;65.39,-6.2,;64.76,-4.79,;62.96,-7.28,;62.04,-8.53,;62.67,-9.94,;64.2,-10.11,;64.83,-11.51,;63.92,-12.76,;67.42,-10.34,;66.8,-11.74,;67.71,-12.98,;67.09,-14.39,;69.24,-12.81,;68.92,-10.01,)|
Show InChI InChI=1S/C31H46N4O5/c1-6-24(36)19-32-29(37)17-23(16-15-22-11-8-7-9-12-22)33-31(38)25-18-26(35(34-25)20-21(2)3)30-27(39-4)13-10-14-28(30)40-5/h10,13-14,18,21-23H,6-9,11-12,15-17,19-20H2,1-5H3,(H,32,37)(H,33,38)/t23-/m0/s1
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172n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation count...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544747
PNG
(CHEMBL4641593)
Show SMILES CCN(CC)C1C=CC2=C(c3ccc(cc3OC2=C1)N(CC)CC)c1ccc(cc1S([O-])(=O)=O)S(=O)(=O)NC(=O)NCCCC[C@H](NC(=O)Cc1csc(=N)n1C)C(=O)N[C@@H](Cc1cn(Cc2ccccc2)c[n+]1C)C(=O)NCC1CCN(C)CC1 |r,c:6,19,t:8|
Show InChI InChI=1S/C61H80N12O10S3/c1-8-72(9-2)43-20-23-48-53(32-43)83-54-33-44(73(10-3)11-4)21-24-49(54)57(48)50-25-22-47(35-55(50)86(80,81)82)85(78,79)67-61(77)63-28-16-15-19-51(65-56(74)34-46-39-84-60(62)70(46)7)59(76)66-52(58(75)64-36-41-26-29-68(5)30-27-41)31-45-38-71(40-69(45)6)37-42-17-13-12-14-18-42/h12-14,17-18,20-25,32-33,35,38-41,43,51-52,62H,8-11,15-16,19,26-31,34,36-37H2,1-7H3,(H5-,63,64,65,66,67,74,75,76,77,80,81,82)/t43?,51-,52-/m0/s1
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180n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-apelin-13 from EGFP-fused human APJ receptor delta16 mutant stably expressed in HEK293 cells by FRET assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544722
PNG
(CHEMBL4647332)
Show SMILES COC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:8.8,(23.73,-48.34,;22.4,-49.11,;21.06,-48.34,;21.06,-46.8,;19.73,-49.12,;18.4,-48.35,;17.06,-49.12,;17.07,-50.66,;15.73,-48.35,;15.73,-46.81,;17.06,-46.04,;17.06,-44.5,;18.39,-43.73,;18.39,-42.2,;17.06,-41.42,;15.72,-42.19,;15.72,-43.74,;14.4,-49.12,;13.06,-48.36,;13.06,-46.82,;11.73,-49.13,;10.32,-48.5,;9.29,-49.65,;7.76,-49.5,;7.13,-48.09,;8.03,-46.85,;7.41,-45.44,;5.6,-47.93,;4.69,-49.18,;5.31,-50.59,;6.85,-50.75,;7.47,-52.16,;6.57,-53.4,;10.06,-50.98,;9.45,-52.39,;10.36,-53.63,;9.74,-55.04,;11.89,-53.46,;11.57,-50.66,)|
Show InChI InChI=1S/C29H36N4O6/c1-19(2)18-33-23(27-24(37-3)12-9-13-25(27)38-4)16-22(32-33)29(36)31-21(28(35)30-17-26(34)39-5)15-14-20-10-7-6-8-11-20/h6-13,16,19,21H,14-15,17-18H2,1-5H3,(H,30,35)(H,31,36)/t21-/m0/s1
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187n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation count...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50544745
PNG
(CHEMBL4632773)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)CCCCCCCCCCCCNC(=O)NCCCC[C@H](NC(=O)Cc3csc(=N)n3C)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[n+]3C)C(=O)NC3CCN(C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:58.60,wD:43.43,(12.2,-.37,;13.55,-1.1,;13.6,-2.64,;12.29,-3.45,;10.93,-2.72,;14.95,-3.37,;14.99,-4.92,;16.35,-5.65,;17.66,-4.84,;19.01,-5.57,;19.05,-7.11,;17.74,-7.91,;17.78,-9.45,;19.13,-10.18,;20.45,-9.37,;20.4,-7.83,;21.7,-7.02,;23.07,-7.75,;20.89,-5.71,;22.44,-5.66,;19.18,-11.72,;20.5,-10.94,;20.28,-12.8,;17.87,-12.5,;17.9,-14.04,;16.58,-14.83,;16.6,-16.37,;15.28,-17.17,;15.31,-18.71,;13.99,-19.5,;14.01,-21.04,;12.69,-21.83,;12.72,-23.37,;11.4,-24.16,;11.43,-25.7,;10.11,-26.5,;10.13,-28.04,;11.48,-28.78,;8.81,-28.83,;8.84,-30.37,;10.18,-31.11,;10.21,-32.65,;11.56,-33.4,;11.58,-34.94,;12.93,-35.69,;14.25,-34.9,;14.22,-33.36,;15.6,-35.64,;16.92,-34.85,;17.05,-33.31,;18.55,-32.97,;19.35,-34.29,;20.88,-34.42,;18.34,-35.45,;18.68,-36.95,;10.26,-35.73,;10.29,-37.27,;8.92,-34.99,;7.6,-35.78,;7.62,-37.32,;6.3,-38.11,;4.88,-37.51,;3.87,-38.67,;2.33,-38.54,;1.45,-39.8,;2.1,-41.18,;1.22,-42.44,;-.33,-42.31,;-.97,-40.92,;-.08,-39.66,;4.66,-39.99,;6.16,-39.65,;7.32,-40.66,;6.25,-35.03,;6.22,-33.49,;4.93,-35.82,;3.58,-35.08,;2.26,-35.88,;.92,-35.12,;.89,-33.58,;-.46,-32.83,;2.22,-32.79,;3.56,-33.54,;20.32,-4.76,;21.67,-5.49,;22.99,-4.69,;22.95,-3.15,;21.6,-2.41,;20.29,-3.22,;18.93,-2.48,;17.61,-3.29,;16.26,-2.56,;24.27,-2.35,;25.62,-3.09,;26.93,-2.29,;24.23,-.81,;25.55,-.01,)|
Show InChI InChI=1S/C72H100N12O10S3/c1-8-83(9-2)54-30-33-59-64(44-54)94-65-45-55(84(10-3)11-4)31-34-60(65)68(59)61-35-32-58(47-66(61)97(91,92)93)96(89,90)42-26-19-17-15-13-12-14-16-18-24-38-74-72(88)75-39-25-23-29-62(77-67(85)46-57-50-95-71(73)81(57)7)69(86)78-63(70(87)76-53-36-40-79(5)41-37-53)43-56-49-82(51-80(56)6)48-52-27-21-20-22-28-52/h20-22,27-28,30-35,44-45,47,49-51,53,62-63,73H,8-19,23-26,29,36-43,46,48H2,1-7H3,(H4-2,74,75,76,77,78,85,86,87,88,91,92,93)/p+1/t62-,63-/m0/s1
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400n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-pE13F from rat EGFP-tagged APJ receptor stably expressed in CHO cell membrane measured after 1 hr


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544746
PNG
(CHEMBL4638070)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NC(=O)NCCCC[C@H](NC(=O)Cc3csc(=N)n3C)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[n+]3C)C(=O)NC3CCN(C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:46.48,wD:31.31,(7.89,-20.87,;9.26,-21.59,;9.32,-23.13,;8.02,-23.95,;6.65,-23.24,;10.68,-23.84,;10.74,-25.39,;12.11,-26.1,;13.4,-25.27,;14.77,-25.99,;14.83,-27.53,;13.52,-28.35,;13.58,-29.89,;14.94,-30.6,;16.25,-29.77,;16.18,-28.24,;17.48,-27.41,;18.85,-28.13,;16.65,-26.11,;18.19,-26.04,;14.96,-32.14,;16.5,-32.14,;15.73,-33.47,;13.65,-32.94,;13.67,-34.48,;15.02,-35.22,;12.35,-35.27,;12.38,-36.81,;13.72,-37.56,;13.75,-39.1,;15.1,-39.84,;15.12,-41.38,;16.47,-42.13,;17.79,-41.34,;17.76,-39.8,;19.14,-42.09,;20.46,-41.29,;20.59,-39.76,;22.09,-39.41,;22.89,-40.73,;24.42,-40.86,;21.88,-41.89,;22.22,-43.39,;13.8,-42.18,;13.83,-43.72,;12.46,-41.43,;11.13,-42.22,;11.16,-43.76,;9.84,-44.55,;8.42,-43.95,;7.41,-45.11,;5.87,-44.98,;4.99,-46.24,;3.45,-46.1,;2.57,-47.36,;3.22,-48.76,;4.76,-48.89,;5.64,-47.63,;8.2,-46.44,;9.7,-46.09,;10.86,-47.1,;9.79,-41.47,;9.76,-39.93,;8.47,-42.27,;7.12,-41.52,;7.1,-39.98,;5.76,-39.23,;4.43,-40.02,;3.09,-39.27,;4.45,-41.56,;5.8,-42.32,;16.07,-25.17,;17.43,-25.89,;18.73,-25.07,;18.68,-23.53,;17.31,-22.8,;16.01,-23.62,;14.64,-22.9,;13.34,-23.73,;11.98,-23.02,;19.98,-22.71,;19.93,-21.17,;21.24,-20.36,;21.34,-23.43,;22.63,-22.63,)|
Show InChI InChI=1S/C60H76N12O10S3/c1-8-71(9-2)42-20-23-47-52(32-42)82-53-33-43(72(10-3)11-4)21-24-48(53)56(47)49-25-22-46(35-54(49)85(79,80)81)84(77,78)66-60(76)62-28-16-15-19-50(64-55(73)34-45-38-83-59(61)69(45)7)57(74)65-51(58(75)63-41-26-29-67(5)30-27-41)31-44-37-70(39-68(44)6)36-40-17-13-12-14-18-40/h12-14,17-18,20-25,32-33,35,37-39,41,50-51,61H,8-11,15-16,19,26-31,34,36H2,1-7H3,(H4-2,62,63,64,65,66,73,74,75,76,79,80,81)/p+1/t50-,51-/m0/s1
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400n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-apelin-13 from EGFP-fused human APJ receptor delta16 mutant stably expressed in HEK293 cells by FRET assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544745
PNG
(CHEMBL4632773)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)CCCCCCCCCCCCNC(=O)NCCCC[C@H](NC(=O)Cc3csc(=N)n3C)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[n+]3C)C(=O)NC3CCN(C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:58.60,wD:43.43,(12.2,-.37,;13.55,-1.1,;13.6,-2.64,;12.29,-3.45,;10.93,-2.72,;14.95,-3.37,;14.99,-4.92,;16.35,-5.65,;17.66,-4.84,;19.01,-5.57,;19.05,-7.11,;17.74,-7.91,;17.78,-9.45,;19.13,-10.18,;20.45,-9.37,;20.4,-7.83,;21.7,-7.02,;23.07,-7.75,;20.89,-5.71,;22.44,-5.66,;19.18,-11.72,;20.5,-10.94,;20.28,-12.8,;17.87,-12.5,;17.9,-14.04,;16.58,-14.83,;16.6,-16.37,;15.28,-17.17,;15.31,-18.71,;13.99,-19.5,;14.01,-21.04,;12.69,-21.83,;12.72,-23.37,;11.4,-24.16,;11.43,-25.7,;10.11,-26.5,;10.13,-28.04,;11.48,-28.78,;8.81,-28.83,;8.84,-30.37,;10.18,-31.11,;10.21,-32.65,;11.56,-33.4,;11.58,-34.94,;12.93,-35.69,;14.25,-34.9,;14.22,-33.36,;15.6,-35.64,;16.92,-34.85,;17.05,-33.31,;18.55,-32.97,;19.35,-34.29,;20.88,-34.42,;18.34,-35.45,;18.68,-36.95,;10.26,-35.73,;10.29,-37.27,;8.92,-34.99,;7.6,-35.78,;7.62,-37.32,;6.3,-38.11,;4.88,-37.51,;3.87,-38.67,;2.33,-38.54,;1.45,-39.8,;2.1,-41.18,;1.22,-42.44,;-.33,-42.31,;-.97,-40.92,;-.08,-39.66,;4.66,-39.99,;6.16,-39.65,;7.32,-40.66,;6.25,-35.03,;6.22,-33.49,;4.93,-35.82,;3.58,-35.08,;2.26,-35.88,;.92,-35.12,;.89,-33.58,;-.46,-32.83,;2.22,-32.79,;3.56,-33.54,;20.32,-4.76,;21.67,-5.49,;22.99,-4.69,;22.95,-3.15,;21.6,-2.41,;20.29,-3.22,;18.93,-2.48,;17.61,-3.29,;16.26,-2.56,;24.27,-2.35,;25.62,-3.09,;26.93,-2.29,;24.23,-.81,;25.55,-.01,)|
Show InChI InChI=1S/C72H100N12O10S3/c1-8-83(9-2)54-30-33-59-64(44-54)94-65-45-55(84(10-3)11-4)31-34-60(65)68(59)61-35-32-58(47-66(61)97(91,92)93)96(89,90)42-26-19-17-15-13-12-14-16-18-24-38-74-72(88)75-39-25-23-29-62(77-67(85)46-57-50-95-71(73)81(57)7)69(86)78-63(70(87)76-53-36-40-79(5)41-37-53)43-56-49-82(51-80(56)6)48-52-27-21-20-22-28-52/h20-22,27-28,30-35,44-45,47,49-51,53,62-63,73H,8-19,23-26,29,36-43,46,48H2,1-7H3,(H4-2,74,75,76,77,78,85,86,87,88,91,92,93)/p+1/t62-,63-/m0/s1
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400n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-pE13F from human APJ receptor stably expressed in CHO cell membrane after 1 hr


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544733
PNG
(CHEMBL4640390)
Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCc1ccccc1)CC(=O)NC1CCC1 |r,wU:22.24,(36.61,-26.26,;37.24,-27.67,;36.34,-28.91,;34.81,-28.75,;33.9,-30,;34.52,-31.41,;36.05,-31.57,;36.68,-32.98,;35.77,-34.22,;36.96,-30.32,;38.5,-30.47,;39.53,-29.32,;40.93,-29.95,;40.78,-31.48,;39.27,-31.8,;38.65,-33.21,;39.56,-34.45,;38.95,-35.86,;41.09,-34.28,;42.27,-29.18,;42.26,-27.64,;43.6,-29.94,;44.93,-29.17,;44.93,-27.63,;46.26,-26.86,;46.26,-25.32,;47.59,-24.55,;47.59,-23.02,;46.26,-22.24,;44.93,-23.01,;44.92,-24.56,;46.27,-29.94,;47.6,-29.17,;47.6,-27.63,;48.94,-29.94,;50.27,-29.16,;51.76,-29.56,;52.16,-28.07,;50.67,-27.68,)|
Show InChI InChI=1S/C31H40N4O4/c1-21(2)20-35-26(30-27(38-3)14-9-15-28(30)39-4)19-25(34-35)31(37)33-24(17-16-22-10-6-5-7-11-22)18-29(36)32-23-12-8-13-23/h5-7,9-11,14-15,19,21,23-24H,8,12-13,16-18,20H2,1-4H3,(H,32,36)(H,33,37)/t24-/m0/s1
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449n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation count...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544728
PNG
(CHEMBL4641474)
Show SMILES CCC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:8.8,(51.91,-8.05,;50.58,-8.82,;49.24,-8.05,;49.24,-6.51,;47.91,-8.83,;46.57,-8.06,;45.24,-8.83,;45.24,-10.37,;43.91,-8.06,;43.9,-6.52,;45.24,-5.75,;45.23,-4.21,;46.57,-3.44,;46.57,-1.91,;45.24,-1.14,;43.9,-1.91,;43.9,-3.45,;42.57,-8.84,;41.24,-8.07,;41.24,-6.53,;39.91,-8.84,;38.5,-8.22,;37.47,-9.36,;35.94,-9.21,;35.31,-7.8,;36.21,-6.56,;35.59,-5.15,;33.78,-7.64,;32.87,-8.89,;33.49,-10.3,;35.03,-10.46,;35.65,-11.87,;34.75,-13.12,;38.24,-10.69,;37.63,-12.1,;38.54,-13.34,;37.92,-14.75,;40.07,-13.17,;39.75,-10.37,)|
Show InChI InChI=1S/C30H38N4O5/c1-6-22(35)18-31-29(36)23(16-15-21-11-8-7-9-12-21)32-30(37)24-17-25(34(33-24)19-20(2)3)28-26(38-4)13-10-14-27(28)39-5/h7-14,17,20,23H,6,15-16,18-19H2,1-5H3,(H,31,36)(H,32,37)/t23-/m0/s1
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571n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation count...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544745
PNG
(CHEMBL4632773)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)CCCCCCCCCCCCNC(=O)NCCCC[C@H](NC(=O)Cc3csc(=N)n3C)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[n+]3C)C(=O)NC3CCN(C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:58.60,wD:43.43,(12.2,-.37,;13.55,-1.1,;13.6,-2.64,;12.29,-3.45,;10.93,-2.72,;14.95,-3.37,;14.99,-4.92,;16.35,-5.65,;17.66,-4.84,;19.01,-5.57,;19.05,-7.11,;17.74,-7.91,;17.78,-9.45,;19.13,-10.18,;20.45,-9.37,;20.4,-7.83,;21.7,-7.02,;23.07,-7.75,;20.89,-5.71,;22.44,-5.66,;19.18,-11.72,;20.5,-10.94,;20.28,-12.8,;17.87,-12.5,;17.9,-14.04,;16.58,-14.83,;16.6,-16.37,;15.28,-17.17,;15.31,-18.71,;13.99,-19.5,;14.01,-21.04,;12.69,-21.83,;12.72,-23.37,;11.4,-24.16,;11.43,-25.7,;10.11,-26.5,;10.13,-28.04,;11.48,-28.78,;8.81,-28.83,;8.84,-30.37,;10.18,-31.11,;10.21,-32.65,;11.56,-33.4,;11.58,-34.94,;12.93,-35.69,;14.25,-34.9,;14.22,-33.36,;15.6,-35.64,;16.92,-34.85,;17.05,-33.31,;18.55,-32.97,;19.35,-34.29,;20.88,-34.42,;18.34,-35.45,;18.68,-36.95,;10.26,-35.73,;10.29,-37.27,;8.92,-34.99,;7.6,-35.78,;7.62,-37.32,;6.3,-38.11,;4.88,-37.51,;3.87,-38.67,;2.33,-38.54,;1.45,-39.8,;2.1,-41.18,;1.22,-42.44,;-.33,-42.31,;-.97,-40.92,;-.08,-39.66,;4.66,-39.99,;6.16,-39.65,;7.32,-40.66,;6.25,-35.03,;6.22,-33.49,;4.93,-35.82,;3.58,-35.08,;2.26,-35.88,;.92,-35.12,;.89,-33.58,;-.46,-32.83,;2.22,-32.79,;3.56,-33.54,;20.32,-4.76,;21.67,-5.49,;22.99,-4.69,;22.95,-3.15,;21.6,-2.41,;20.29,-3.22,;18.93,-2.48,;17.61,-3.29,;16.26,-2.56,;24.27,-2.35,;25.62,-3.09,;26.93,-2.29,;24.23,-.81,;25.55,-.01,)|
Show InChI InChI=1S/C72H100N12O10S3/c1-8-83(9-2)54-30-33-59-64(44-54)94-65-45-55(84(10-3)11-4)31-34-60(65)68(59)61-35-32-58(47-66(61)97(91,92)93)96(89,90)42-26-19-17-15-13-12-14-16-18-24-38-74-72(88)75-39-25-23-29-62(77-67(85)46-57-50-95-71(73)81(57)7)69(86)78-63(70(87)76-53-36-40-79(5)41-37-53)43-56-49-82(51-80(56)6)48-52-27-21-20-22-28-52/h20-22,27-28,30-35,44-45,47,49-51,53,62-63,73H,8-19,23-26,29,36-43,46,48H2,1-7H3,(H4-2,74,75,76,77,78,85,86,87,88,91,92,93)/p+1/t62-,63-/m0/s1
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690n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-apelin-13 from EGFP-fused human APJ receptor delta16 mutant stably expressed in HEK293 cells by FRET assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50183341
PNG
(CHEMBL3817879)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;4.07,-12.75,;3.16,-13.99,;1.63,-13.82,;1.01,-12.41,;1.92,-11.17,;6.18,-7.61,;6.8,-9.02,;6.07,-10.02,;8.02,-9.16,)|
Show InChI InChI=1S/C29H34FN3O5/c1-37-25-9-6-10-26(38-2)28(25)24-18-23(32-33(24)22-15-12-20(30)13-16-22)29(36)31-21(17-27(34)35)14-11-19-7-4-3-5-8-19/h6,9-10,12-13,15-16,18-19,21H,3-5,7-8,11,14,17H2,1-2H3,(H,31,36)(H,34,35)/t21-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation count...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544750
PNG
(CHEMBL4633415)
Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:25.28,(36.85,-26.08,;37.47,-27.49,;36.57,-28.74,;35.04,-28.58,;34.13,-29.82,;34.75,-31.23,;36.28,-31.39,;36.86,-32.8,;36,-34.05,;37.2,-30.14,;38.73,-30.3,;39.76,-29.15,;41.17,-29.77,;41.01,-31.3,;39.51,-31.63,;38.88,-33.03,;39.88,-34.19,;39.6,-35.71,;38.24,-36.43,;36.84,-35.81,;36.44,-34.33,;37.35,-33.09,;42.51,-29,;42.5,-27.46,;43.84,-29.77,;45.17,-29,;45.17,-27.46,;46.5,-26.68,;46.5,-25.14,;47.83,-24.37,;47.83,-22.84,;46.5,-22.06,;45.16,-22.83,;45.16,-24.38,;46.51,-29.76,;47.84,-28.99,;49.18,-29.76,;47.84,-27.45,)|
Show InChI InChI=1S/C30H43N3O5/c1-37-26-15-10-16-27(38-2)29(26)25-20-24(32-33(25)23-13-8-3-4-9-14-23)30(36)31-22(19-28(34)35)18-17-21-11-6-5-7-12-21/h10,15-16,20-23H,3-9,11-14,17-19H2,1-2H3,(H,31,36)(H,34,35)/t22-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells co-expressing Galphaq16 assessed as increase in intracellular calcium mobilizati...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50544749
PNG
(CHEMBL4640653)
Show SMILES COC(=O)CN(C)C(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:9.9,(52.52,-48.16,;51.18,-48.93,;49.85,-48.16,;49.85,-46.62,;48.52,-48.94,;47.18,-48.17,;47.18,-46.63,;45.85,-48.94,;45.85,-50.48,;44.51,-48.17,;44.51,-46.63,;45.84,-45.86,;45.84,-44.32,;47.17,-43.55,;47.17,-42.02,;45.84,-41.24,;44.51,-42.01,;44.5,-43.56,;43.18,-48.95,;41.85,-48.18,;41.84,-46.64,;40.51,-48.95,;39.11,-48.33,;38.08,-49.47,;36.54,-49.32,;35.92,-47.91,;36.82,-46.67,;36.19,-45.26,;34.39,-47.75,;33.48,-49,;34.1,-50.41,;35.63,-50.57,;36.26,-51.98,;35.35,-53.22,;38.85,-50.8,;38.23,-52.21,;39.14,-53.45,;38.53,-54.86,;40.67,-53.28,;40.36,-50.48,)|
Show InChI InChI=1S/C30H38N4O6/c1-20(2)18-34-24(28-25(38-4)13-10-14-26(28)39-5)17-23(32-34)29(36)31-22(16-15-21-11-8-7-9-12-21)30(37)33(3)19-27(35)40-6/h7-14,17,20,22H,15-16,18-19H2,1-6H3,(H,31,36)/t22-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human AGTR1 stably expressed in CHO cells assessed as increase in intracellular calcium mobilization measured at 1 sec intervals ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544729
PNG
(CHEMBL4647391)
Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:24.27,(64.94,-45.08,;65.56,-46.49,;64.66,-47.74,;63.14,-47.58,;62.22,-48.82,;62.84,-50.23,;64.38,-50.4,;65.01,-51.81,;64.1,-53.05,;65.29,-49.14,;66.82,-49.3,;67.85,-48.15,;69.26,-48.78,;69.1,-50.31,;67.6,-50.63,;66.98,-52.04,;65.46,-52.2,;64.84,-53.6,;65.74,-54.84,;67.27,-54.67,;67.9,-53.26,;70.6,-48,;70.59,-46.46,;71.92,-48.77,;73.26,-48,;73.25,-46.46,;74.59,-45.69,;74.59,-44.15,;75.92,-43.38,;75.92,-41.84,;74.59,-41.07,;73.25,-41.84,;73.25,-43.38,;74.59,-48.77,;75.93,-47.99,;75.92,-46.45,;77.26,-48.76,;78.6,-47.99,;80.09,-48.38,;80.48,-46.9,;78.99,-46.5,)|
Show InChI InChI=1S/C33H48N4O4/c1-40-29-17-10-18-30(41-2)32(29)28-22-27(36-37(28)26-15-7-4-8-16-26)33(39)35-25(20-19-23-11-5-3-6-12-23)21-31(38)34-24-13-9-14-24/h10,17-18,22-26H,3-9,11-16,19-21H2,1-2H3,(H,34,38)(H,35,39)/t25-/m0/s1
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n/an/an/an/a 92n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHOK1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544741
PNG
(CHEMBL4644715)
Show SMILES COCCNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:7.7,(81.02,-47.56,;79.69,-48.33,;78.35,-47.57,;77.02,-48.34,;75.69,-47.57,;74.35,-48.34,;74.36,-49.88,;73.02,-47.57,;73.02,-46.03,;74.35,-45.26,;74.35,-43.72,;75.68,-42.95,;75.68,-41.42,;74.35,-40.65,;73.01,-41.42,;73.01,-42.96,;71.69,-48.35,;70.35,-47.58,;70.35,-46.04,;69.02,-48.35,;67.61,-47.73,;66.58,-48.87,;65.05,-48.72,;64.42,-47.31,;65.32,-46.07,;64.7,-44.66,;62.89,-47.15,;61.98,-48.4,;62.6,-49.81,;64.14,-49.97,;64.76,-51.38,;63.86,-52.63,;67.35,-50.21,;66.74,-51.61,;67.65,-52.85,;67.03,-54.26,;69.18,-52.68,;68.86,-49.88,)|
Show InChI InChI=1S/C29H38N4O5/c1-20(2)19-33-24(27-25(37-4)12-9-13-26(27)38-5)18-23(32-33)29(35)31-22(28(34)30-16-17-36-3)15-14-21-10-7-6-8-11-21/h6-13,18,20,22H,14-17,19H2,1-5H3,(H,30,34)(H,31,35)/t22-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHOK1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544744
PNG
(CHEMBL4647996)
Show SMILES CCC(O)CNC(=O)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:9.9,(23.75,-9.44,;22.42,-8.67,;21.08,-9.44,;21.09,-10.98,;19.75,-8.68,;18.42,-9.45,;17.08,-8.68,;17.08,-7.14,;15.75,-9.45,;14.41,-8.69,;14.41,-7.15,;15.74,-6.37,;15.74,-4.83,;17.07,-4.07,;17.08,-2.53,;15.74,-1.76,;14.41,-2.53,;14.4,-4.07,;13.08,-9.46,;11.75,-8.69,;11.74,-7.15,;10.41,-9.46,;9.01,-8.84,;7.98,-9.98,;6.44,-9.83,;5.82,-8.43,;6.72,-7.18,;6.09,-5.77,;4.29,-8.26,;3.38,-9.51,;4,-10.92,;5.53,-11.09,;6.16,-12.49,;5.25,-13.74,;8.75,-11.32,;8.13,-12.72,;9.04,-13.96,;8.43,-15.37,;10.58,-13.79,;10.26,-10.99,)|
Show InChI InChI=1S/C31H48N4O5/c1-6-24(36)19-32-29(37)17-23(16-15-22-11-8-7-9-12-22)33-31(38)25-18-26(35(34-25)20-21(2)3)30-27(39-4)13-10-14-28(30)40-5/h10,13-14,18,21-24,36H,6-9,11-12,15-17,19-20H2,1-5H3,(H,32,37)(H,33,38)/t23-,24?/m0/s1
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n/an/an/an/a 113n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHOK1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544743
PNG
(CHEMBL4647813)
Show SMILES COc1cccc(OC)c1-c1cc(nn1C)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:19.21,(40.39,-35.41,;41.02,-36.82,;40.12,-38.07,;38.59,-37.91,;37.68,-39.15,;38.3,-40.56,;39.83,-40.73,;40.46,-42.13,;39.55,-43.38,;40.74,-39.47,;42.28,-39.62,;43.31,-38.48,;44.71,-39.1,;44.56,-40.63,;43.05,-40.96,;42.43,-42.36,;46.05,-38.33,;46.04,-36.79,;47.38,-39.1,;48.71,-38.33,;48.71,-36.79,;50.04,-36.01,;50.04,-34.47,;51.37,-33.71,;51.37,-32.17,;50.04,-31.4,;48.71,-32.17,;48.7,-33.71,;50.05,-39.09,;51.38,-38.32,;52.72,-39.09,;51.38,-36.78,)|
Show InChI InChI=1S/C24H33N3O5/c1-27-19(23-20(31-2)10-7-11-21(23)32-3)15-18(26-27)24(30)25-17(14-22(28)29)13-12-16-8-5-4-6-9-16/h7,10-11,15-17H,4-6,8-9,12-14H2,1-3H3,(H,25,30)(H,28,29)/t17-/m0/s1
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n/an/an/an/a 1.46E+3n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells co-expressing Galphaq16 assessed as increase in intracellular calcium mobilizati...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544733
PNG
(CHEMBL4640390)
Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCc1ccccc1)CC(=O)NC1CCC1 |r,wU:22.24,(36.61,-26.26,;37.24,-27.67,;36.34,-28.91,;34.81,-28.75,;33.9,-30,;34.52,-31.41,;36.05,-31.57,;36.68,-32.98,;35.77,-34.22,;36.96,-30.32,;38.5,-30.47,;39.53,-29.32,;40.93,-29.95,;40.78,-31.48,;39.27,-31.8,;38.65,-33.21,;39.56,-34.45,;38.95,-35.86,;41.09,-34.28,;42.27,-29.18,;42.26,-27.64,;43.6,-29.94,;44.93,-29.17,;44.93,-27.63,;46.26,-26.86,;46.26,-25.32,;47.59,-24.55,;47.59,-23.02,;46.26,-22.24,;44.93,-23.01,;44.92,-24.56,;46.27,-29.94,;47.6,-29.17,;47.6,-27.63,;48.94,-29.94,;50.27,-29.16,;51.76,-29.56,;52.16,-28.07,;50.67,-27.68,)|
Show InChI InChI=1S/C31H40N4O4/c1-21(2)20-35-26(30-27(38-3)14-9-15-28(30)39-4)19-25(34-35)31(37)33-24(17-16-22-10-6-5-7-11-22)18-29(36)32-23-12-8-13-23/h5-7,9-11,14-15,19,21,23-24H,8,12-13,16-18,20H2,1-4H3,(H,32,36)(H,33,37)/t24-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544722
PNG
(CHEMBL4647332)
Show SMILES COC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:8.8,(23.73,-48.34,;22.4,-49.11,;21.06,-48.34,;21.06,-46.8,;19.73,-49.12,;18.4,-48.35,;17.06,-49.12,;17.07,-50.66,;15.73,-48.35,;15.73,-46.81,;17.06,-46.04,;17.06,-44.5,;18.39,-43.73,;18.39,-42.2,;17.06,-41.42,;15.72,-42.19,;15.72,-43.74,;14.4,-49.12,;13.06,-48.36,;13.06,-46.82,;11.73,-49.13,;10.32,-48.5,;9.29,-49.65,;7.76,-49.5,;7.13,-48.09,;8.03,-46.85,;7.41,-45.44,;5.6,-47.93,;4.69,-49.18,;5.31,-50.59,;6.85,-50.75,;7.47,-52.16,;6.57,-53.4,;10.06,-50.98,;9.45,-52.39,;10.36,-53.63,;9.74,-55.04,;11.89,-53.46,;11.57,-50.66,)|
Show InChI InChI=1S/C29H36N4O6/c1-19(2)18-33-23(27-24(37-3)12-9-13-25(27)38-4)16-22(32-33)29(36)31-21(28(35)30-17-26(34)39-5)15-14-20-10-7-6-8-11-20/h6-13,16,19,21H,14-15,17-18H2,1-5H3,(H,30,35)(H,31,36)/t21-/m0/s1
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n/an/an/an/a 3.09E+3n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544748
PNG
(CHEMBL4649298)
Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(N)=O |r,wU:22.24,(66.47,-26.21,;67.1,-27.62,;66.19,-28.87,;64.67,-28.7,;63.75,-29.95,;64.38,-31.36,;65.91,-31.52,;66.54,-32.93,;65.63,-34.18,;66.82,-30.27,;68.36,-30.42,;69.38,-29.28,;70.79,-29.9,;70.63,-31.43,;69.13,-31.76,;68.51,-33.16,;69.42,-34.4,;68.8,-35.81,;70.95,-34.23,;72.12,-29.13,;72.12,-27.59,;73.46,-29.9,;74.79,-29.13,;74.79,-27.59,;76.12,-26.81,;76.12,-25.27,;77.45,-24.51,;77.45,-22.97,;76.12,-22.2,;74.79,-22.97,;74.78,-24.51,;76.13,-29.89,;77.46,-29.12,;78.79,-29.89,;77.46,-27.58,)|
Show InChI InChI=1S/C27H40N4O4/c1-18(2)17-31-22(26-23(34-3)11-8-12-24(26)35-4)16-21(30-31)27(33)29-20(15-25(28)32)14-13-19-9-6-5-7-10-19/h8,11-12,16,18-20H,5-7,9-10,13-15,17H2,1-4H3,(H2,28,32)(H,29,33)/t20-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544738
PNG
(CHEMBL4647661)
Show SMILES COC(=O)CNC(=O)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:9.9,(23.73,-49.7,;22.39,-48.93,;21.06,-49.7,;21.06,-51.24,;19.73,-48.93,;18.39,-49.71,;17.06,-48.94,;17.06,-47.4,;15.73,-49.71,;14.39,-48.94,;14.39,-47.4,;15.72,-46.63,;15.72,-45.09,;17.05,-44.32,;17.05,-42.79,;15.72,-42.01,;14.38,-42.78,;14.38,-44.33,;13.06,-49.72,;11.72,-48.95,;11.72,-47.41,;10.39,-49.72,;8.98,-49.1,;7.95,-50.24,;6.42,-50.09,;5.79,-48.68,;6.7,-47.44,;6.07,-46.03,;4.26,-48.52,;3.35,-49.77,;3.98,-51.18,;5.51,-51.34,;6.14,-52.75,;5.23,-53.99,;8.73,-51.57,;8.11,-52.98,;9.02,-54.22,;8.4,-55.63,;10.55,-54.05,;10.23,-51.25,)|
Show InChI InChI=1S/C30H44N4O6/c1-20(2)19-34-24(29-25(38-3)12-9-13-26(29)39-4)17-23(33-34)30(37)32-22(15-14-21-10-7-6-8-11-21)16-27(35)31-18-28(36)40-5/h9,12-13,17,20-22H,6-8,10-11,14-16,18-19H2,1-5H3,(H,31,35)(H,32,37)/t22-/m0/s1
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n/an/an/an/a 684n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50544733
PNG
(CHEMBL4640390)
Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCc1ccccc1)CC(=O)NC1CCC1 |r,wU:22.24,(36.61,-26.26,;37.24,-27.67,;36.34,-28.91,;34.81,-28.75,;33.9,-30,;34.52,-31.41,;36.05,-31.57,;36.68,-32.98,;35.77,-34.22,;36.96,-30.32,;38.5,-30.47,;39.53,-29.32,;40.93,-29.95,;40.78,-31.48,;39.27,-31.8,;38.65,-33.21,;39.56,-34.45,;38.95,-35.86,;41.09,-34.28,;42.27,-29.18,;42.26,-27.64,;43.6,-29.94,;44.93,-29.17,;44.93,-27.63,;46.26,-26.86,;46.26,-25.32,;47.59,-24.55,;47.59,-23.02,;46.26,-22.24,;44.93,-23.01,;44.92,-24.56,;46.27,-29.94,;47.6,-29.17,;47.6,-27.63,;48.94,-29.94,;50.27,-29.16,;51.76,-29.56,;52.16,-28.07,;50.67,-27.68,)|
Show InChI InChI=1S/C31H40N4O4/c1-21(2)20-35-26(30-27(38-3)14-9-15-28(30)39-4)19-25(34-35)31(37)33-24(17-16-22-10-6-5-7-11-22)18-29(36)32-23-12-8-13-23/h5-7,9-11,14-15,19,21,23-24H,8,12-13,16-18,20H2,1-4H3,(H,32,36)(H,33,37)/t24-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human AGTR1 stably expressed in CHO cells assessed as increase in intracellular calcium mobilization measured at 1 sec intervals ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544728
PNG
(CHEMBL4641474)
Show SMILES CCC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:8.8,(51.91,-8.05,;50.58,-8.82,;49.24,-8.05,;49.24,-6.51,;47.91,-8.83,;46.57,-8.06,;45.24,-8.83,;45.24,-10.37,;43.91,-8.06,;43.9,-6.52,;45.24,-5.75,;45.23,-4.21,;46.57,-3.44,;46.57,-1.91,;45.24,-1.14,;43.9,-1.91,;43.9,-3.45,;42.57,-8.84,;41.24,-8.07,;41.24,-6.53,;39.91,-8.84,;38.5,-8.22,;37.47,-9.36,;35.94,-9.21,;35.31,-7.8,;36.21,-6.56,;35.59,-5.15,;33.78,-7.64,;32.87,-8.89,;33.49,-10.3,;35.03,-10.46,;35.65,-11.87,;34.75,-13.12,;38.24,-10.69,;37.63,-12.1,;38.54,-13.34,;37.92,-14.75,;40.07,-13.17,;39.75,-10.37,)|
Show InChI InChI=1S/C30H38N4O5/c1-6-22(35)18-31-29(36)23(16-15-21-11-8-7-9-12-21)32-30(37)24-17-25(34(33-24)19-20(2)3)28-26(38-4)13-10-14-27(28)39-5/h7-14,17,20,23H,6,15-16,18-19H2,1-5H3,(H,31,36)(H,32,37)/t23-/m0/s1
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n/an/an/an/a 162n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells co-expressing Galphaq16 assessed as increase in intracellular calcium mobilizati...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544752
PNG
(CHEMBL4642566)
Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:24.27,(64.81,-5.23,;65.44,-6.63,;64.54,-7.88,;63.01,-7.72,;62.09,-8.97,;62.71,-10.37,;64.25,-10.54,;64.88,-11.95,;63.97,-13.19,;65.16,-9.29,;66.7,-9.44,;67.73,-8.29,;69.14,-8.92,;68.98,-10.45,;67.47,-10.77,;66.85,-12.18,;65.33,-12.34,;64.71,-13.74,;65.61,-14.97,;67.14,-14.81,;67.77,-13.4,;70.47,-8.14,;70.47,-6.6,;71.8,-8.92,;73.13,-8.14,;73.13,-6.6,;74.46,-5.83,;74.46,-4.29,;75.79,-3.52,;75.79,-1.99,;74.46,-1.21,;73.13,-1.98,;73.12,-3.53,;74.47,-8.91,;75.8,-8.13,;77.14,-8.91,;75.8,-6.59,)|
Show InChI InChI=1S/C29H41N3O5/c1-36-25-14-9-15-26(37-2)28(25)24-19-23(31-32(24)22-12-7-4-8-13-22)29(35)30-21(18-27(33)34)17-16-20-10-5-3-6-11-20/h9,14-15,19-22H,3-8,10-13,16-18H2,1-2H3,(H,30,35)(H,33,34)/t21-/m0/s1
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n/an/an/an/a 518n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544751
PNG
(CHEMBL4647486)
Show SMILES COc1cccc(OC)c1-c1cc(nn1CC1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:25.28,(8.69,-25.46,;9.32,-26.86,;8.41,-28.11,;6.89,-27.95,;5.97,-29.2,;6.6,-30.61,;8.13,-30.77,;8.76,-32.18,;7.85,-33.42,;9.04,-29.52,;10.58,-29.67,;11.6,-28.52,;13.01,-29.15,;12.85,-30.68,;11.35,-31,;10.73,-32.41,;11.64,-33.65,;11.01,-35.05,;11.92,-36.29,;13.45,-36.13,;14.07,-34.72,;13.16,-33.47,;14.34,-28.38,;14.34,-26.84,;15.68,-29.14,;17.01,-28.37,;17.01,-26.83,;18.34,-26.06,;18.34,-24.52,;19.67,-23.75,;19.67,-22.22,;18.34,-21.44,;17.01,-22.21,;17,-23.76,;18.35,-29.14,;19.68,-28.37,;21.01,-29.13,;19.68,-26.83,)|
Show InChI InChI=1S/C30H43N3O5/c1-37-26-14-9-15-27(38-2)29(26)25-19-24(32-33(25)20-22-12-7-4-8-13-22)30(36)31-23(18-28(34)35)17-16-21-10-5-3-6-11-21/h9,14-15,19,21-23H,3-8,10-13,16-18,20H2,1-2H3,(H,31,36)(H,34,35)/t23-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544750
PNG
(CHEMBL4633415)
Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:25.28,(36.85,-26.08,;37.47,-27.49,;36.57,-28.74,;35.04,-28.58,;34.13,-29.82,;34.75,-31.23,;36.28,-31.39,;36.86,-32.8,;36,-34.05,;37.2,-30.14,;38.73,-30.3,;39.76,-29.15,;41.17,-29.77,;41.01,-31.3,;39.51,-31.63,;38.88,-33.03,;39.88,-34.19,;39.6,-35.71,;38.24,-36.43,;36.84,-35.81,;36.44,-34.33,;37.35,-33.09,;42.51,-29,;42.5,-27.46,;43.84,-29.77,;45.17,-29,;45.17,-27.46,;46.5,-26.68,;46.5,-25.14,;47.83,-24.37,;47.83,-22.84,;46.5,-22.06,;45.16,-22.83,;45.16,-24.38,;46.51,-29.76,;47.84,-28.99,;49.18,-29.76,;47.84,-27.45,)|
Show InChI InChI=1S/C30H43N3O5/c1-37-26-15-10-16-27(38-2)29(26)25-20-24(32-33(25)23-13-8-3-4-9-14-23)30(36)31-22(19-28(34)35)18-17-21-11-6-5-7-12-21/h10,15-16,20-23H,3-9,11-14,17-19H2,1-2H3,(H,31,36)(H,34,35)/t22-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50183341
PNG
(CHEMBL3817879)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;4.07,-12.75,;3.16,-13.99,;1.63,-13.82,;1.01,-12.41,;1.92,-11.17,;6.18,-7.61,;6.8,-9.02,;6.07,-10.02,;8.02,-9.16,)|
Show InChI InChI=1S/C29H34FN3O5/c1-37-25-9-6-10-26(38-2)28(25)24-18-23(32-33(24)22-15-12-20(30)13-16-22)29(36)31-21(17-27(34)35)14-11-19-7-4-3-5-8-19/h6,9-10,12-13,15-16,18-19,21H,3-5,7-8,11,14,17H2,1-2H3,(H,31,36)(H,34,35)/t21-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human AGTR1 stably expressed in CHO cells assessed as increase in intracellular calcium mobilization measured at 1 sec intervals ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544742
PNG
(CHEMBL4647910)
Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:23.26,(36.48,-46.53,;37.11,-47.94,;36.21,-49.19,;34.68,-49.03,;33.77,-50.28,;34.39,-51.69,;35.92,-51.85,;36.55,-53.26,;35.64,-54.5,;36.83,-50.59,;38.37,-50.75,;39.4,-49.6,;40.81,-50.23,;40.65,-51.76,;39.14,-52.08,;38.52,-53.49,;37.03,-53.82,;36.88,-55.34,;38.28,-55.96,;39.31,-54.82,;42.14,-49.45,;42.13,-47.91,;43.47,-50.22,;44.8,-49.45,;44.8,-47.91,;46.13,-47.14,;46.13,-45.6,;47.46,-44.83,;47.46,-43.3,;46.13,-42.52,;44.8,-43.29,;44.79,-44.84,;46.14,-50.22,;47.47,-49.44,;47.47,-47.9,;48.81,-50.22,;50.14,-49.44,;51.63,-49.84,;52.02,-48.35,;50.54,-47.95,)|
Show InChI InChI=1S/C32H46N4O4/c1-39-28-16-9-17-29(40-2)31(28)27-21-26(35-36(27)25-14-6-7-15-25)32(38)34-24(19-18-22-10-4-3-5-11-22)20-30(37)33-23-12-8-13-23/h9,16-17,21-25H,3-8,10-15,18-20H2,1-2H3,(H,33,37)(H,34,38)/t24-/m0/s1
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n/an/an/an/a 63n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHOK1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544749
PNG
(CHEMBL4640653)
Show SMILES COC(=O)CN(C)C(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:9.9,(52.52,-48.16,;51.18,-48.93,;49.85,-48.16,;49.85,-46.62,;48.52,-48.94,;47.18,-48.17,;47.18,-46.63,;45.85,-48.94,;45.85,-50.48,;44.51,-48.17,;44.51,-46.63,;45.84,-45.86,;45.84,-44.32,;47.17,-43.55,;47.17,-42.02,;45.84,-41.24,;44.51,-42.01,;44.5,-43.56,;43.18,-48.95,;41.85,-48.18,;41.84,-46.64,;40.51,-48.95,;39.11,-48.33,;38.08,-49.47,;36.54,-49.32,;35.92,-47.91,;36.82,-46.67,;36.19,-45.26,;34.39,-47.75,;33.48,-49,;34.1,-50.41,;35.63,-50.57,;36.26,-51.98,;35.35,-53.22,;38.85,-50.8,;38.23,-52.21,;39.14,-53.45,;38.53,-54.86,;40.67,-53.28,;40.36,-50.48,)|
Show InChI InChI=1S/C30H38N4O6/c1-20(2)18-34-24(28-25(38-4)13-10-14-26(28)39-5)17-23(32-34)29(36)31-22(16-15-21-11-8-7-9-12-21)30(37)33(3)19-27(35)40-6/h7-14,17,20,22H,15-16,18-19H2,1-6H3,(H,31,36)/t22-/m0/s1
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n/an/an/an/a 207n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHOK1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544721
PNG
(CHEMBL4644803)
Show SMILES CCCn1nc(cc1-c1c(OC)cccc1OC)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:21.23,(9.06,-56.14,;9.67,-54.73,;8.76,-53.49,;9.38,-52.08,;10.89,-51.76,;11.04,-50.23,;9.64,-49.6,;8.61,-50.75,;7.07,-50.59,;6.45,-49.19,;7.35,-47.94,;6.72,-46.54,;4.92,-49.03,;4.01,-50.27,;4.63,-51.68,;6.16,-51.85,;6.79,-53.26,;5.88,-54.5,;12.38,-49.45,;12.37,-47.91,;13.71,-50.22,;15.04,-49.45,;15.04,-47.91,;16.37,-47.14,;16.37,-45.6,;17.7,-44.83,;17.71,-43.3,;16.37,-42.52,;15.04,-43.29,;15.03,-44.84,;16.38,-50.22,;17.71,-49.44,;17.71,-47.9,;19.05,-50.21,;20.38,-49.44,;21.87,-49.84,;22.27,-48.35,;20.78,-47.95,)|
Show InChI InChI=1S/C30H44N4O4/c1-4-18-34-25(29-26(37-2)14-9-15-27(29)38-3)20-24(33-34)30(36)32-23(17-16-21-10-6-5-7-11-21)19-28(35)31-22-12-8-13-22/h9,14-15,20-23H,4-8,10-13,16-19H2,1-3H3,(H,31,35)(H,32,36)/t23-/m0/s1
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n/an/an/an/a 49n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells co-expressing Galphaq16 assessed as increase in intracellular calcium mobilizati...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544752
PNG
(CHEMBL4642566)
Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:24.27,(64.81,-5.23,;65.44,-6.63,;64.54,-7.88,;63.01,-7.72,;62.09,-8.97,;62.71,-10.37,;64.25,-10.54,;64.88,-11.95,;63.97,-13.19,;65.16,-9.29,;66.7,-9.44,;67.73,-8.29,;69.14,-8.92,;68.98,-10.45,;67.47,-10.77,;66.85,-12.18,;65.33,-12.34,;64.71,-13.74,;65.61,-14.97,;67.14,-14.81,;67.77,-13.4,;70.47,-8.14,;70.47,-6.6,;71.8,-8.92,;73.13,-8.14,;73.13,-6.6,;74.46,-5.83,;74.46,-4.29,;75.79,-3.52,;75.79,-1.99,;74.46,-1.21,;73.13,-1.98,;73.12,-3.53,;74.47,-8.91,;75.8,-8.13,;77.14,-8.91,;75.8,-6.59,)|
Show InChI InChI=1S/C29H41N3O5/c1-36-25-14-9-15-26(37-2)28(25)24-19-23(31-32(24)22-12-7-4-8-13-22)29(35)30-21(18-27(33)34)17-16-20-10-5-3-6-11-20/h9,14-15,19-22H,3-8,10-13,16-18H2,1-2H3,(H,30,35)(H,33,34)/t21-/m0/s1
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n/an/an/an/a 380n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells co-expressing Galphaq16 assessed as increase in intracellular calcium mobilizati...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50183341
PNG
(CHEMBL3817879)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;4.07,-12.75,;3.16,-13.99,;1.63,-13.82,;1.01,-12.41,;1.92,-11.17,;6.18,-7.61,;6.8,-9.02,;6.07,-10.02,;8.02,-9.16,)|
Show InChI InChI=1S/C29H34FN3O5/c1-37-25-9-6-10-26(38-2)28(25)24-18-23(32-33(24)22-15-12-20(30)13-16-22)29(36)31-21(17-27(34)35)14-11-19-7-4-3-5-8-19/h6,9-10,12-13,15-16,18-19,21H,3-5,7-8,11,14,17H2,1-2H3,(H,31,36)(H,34,35)/t21-/m0/s1
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n/an/an/an/a 800n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells co-expressing Galphaq16 assessed as increase in intracellular calcium mobilizati...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544740
PNG
(CHEMBL4637028)
Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCc1ccccc1)CC(O)=O |r,wU:22.24,(6.83,-26.11,;7.46,-27.52,;6.55,-28.76,;5.03,-28.6,;4.11,-29.85,;4.74,-31.26,;6.27,-31.42,;6.9,-32.83,;5.99,-34.08,;7.18,-30.17,;8.72,-30.32,;9.75,-29.18,;11.15,-29.8,;10.99,-31.33,;9.49,-31.66,;8.87,-33.06,;9.78,-34.3,;9.16,-35.71,;11.31,-34.13,;12.49,-29.03,;12.48,-27.49,;13.82,-29.8,;15.15,-29.02,;15.15,-27.48,;16.48,-26.71,;16.48,-25.17,;17.81,-24.4,;17.81,-22.87,;16.48,-22.1,;15.15,-22.87,;15.14,-24.41,;16.49,-29.79,;17.82,-29.02,;19.16,-29.79,;17.82,-27.48,)|
Show InChI InChI=1S/C27H33N3O5/c1-18(2)17-30-22(26-23(34-3)11-8-12-24(26)35-4)16-21(29-30)27(33)28-20(15-25(31)32)14-13-19-9-6-5-7-10-19/h5-12,16,18,20H,13-15,17H2,1-4H3,(H,28,33)(H,31,32)/t20-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544730
PNG
(CHEMBL4637936)
Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCc1ccccc1)C(O)=O |r,wU:22.24,(67.18,-24.44,;67.81,-25.85,;66.9,-27.09,;65.37,-26.93,;64.46,-28.18,;65.08,-29.59,;66.62,-29.75,;67.25,-31.16,;66.34,-32.4,;67.53,-28.5,;69.06,-28.65,;70.09,-27.5,;71.5,-28.13,;71.34,-29.66,;69.84,-29.98,;69.22,-31.39,;70.13,-32.63,;69.51,-34.04,;71.66,-32.46,;72.83,-27.36,;72.83,-25.82,;74.17,-28.12,;75.5,-27.35,;75.5,-25.81,;76.83,-25.04,;76.83,-23.5,;78.16,-22.73,;78.16,-21.2,;76.83,-20.42,;75.49,-21.19,;75.49,-22.74,;76.84,-28.12,;78.17,-27.35,;76.84,-29.66,)|
Show InChI InChI=1S/C26H31N3O5/c1-17(2)16-29-21(24-22(33-3)11-8-12-23(24)34-4)15-20(28-29)25(30)27-19(26(31)32)14-13-18-9-6-5-7-10-18/h5-12,15,17,19H,13-14,16H2,1-4H3,(H,27,30)(H,31,32)/t19-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544719
PNG
(CHEMBL4645831)
Show SMILES CC1=CC(=O)C(=C\C1=N/OS(=O)(=O)c1ccccc1)C1CCCCC1 |c:5,t:1|
Show InChI InChI=1S/C19H21NO4S/c1-14-12-19(21)17(15-8-4-2-5-9-15)13-18(14)20-24-25(22,23)16-10-6-3-7-11-16/h3,6-7,10-13,15H,2,4-5,8-9H2,1H3/b20-18+
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n/an/an/an/a 3.70E+3n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor (unknown origin) assessed as induction of beta-arrestin 2 recruitment


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50544720
PNG
(CHEMBL4632564)
Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:22.24,(36.18,-25.4,;36.81,-26.8,;35.91,-28.05,;34.38,-27.89,;33.47,-29.13,;34.09,-30.54,;35.63,-30.71,;36.25,-32.12,;35.35,-33.36,;36.54,-29.45,;38.07,-29.61,;39.1,-28.46,;40.51,-29.09,;40.35,-30.62,;38.84,-30.94,;38.22,-32.35,;39.14,-33.59,;38.52,-35,;40.67,-33.42,;41.84,-28.31,;41.84,-26.77,;43.17,-29.08,;44.51,-28.31,;44.5,-26.77,;45.84,-26,;45.83,-24.46,;47.17,-23.69,;47.17,-22.16,;45.84,-21.38,;44.5,-22.15,;44.5,-23.7,;45.84,-29.08,;47.17,-28.3,;47.17,-26.76,;48.51,-29.07,;49.84,-28.3,;51.33,-28.7,;51.73,-27.21,;50.24,-26.81,)|
Show InChI InChI=1S/C31H46N4O4/c1-21(2)20-35-26(30-27(38-3)14-9-15-28(30)39-4)19-25(34-35)31(37)33-24(17-16-22-10-6-5-7-11-22)18-29(36)32-23-12-8-13-23/h9,14-15,19,21-24H,5-8,10-13,16-18,20H2,1-4H3,(H,32,36)(H,33,37)/t24-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human AGTR1 stably expressed in CHO cells assessed as increase in intracellular calcium mobilization measured at 1 sec intervals ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544721
PNG
(CHEMBL4644803)
Show SMILES CCCn1nc(cc1-c1c(OC)cccc1OC)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:21.23,(9.06,-56.14,;9.67,-54.73,;8.76,-53.49,;9.38,-52.08,;10.89,-51.76,;11.04,-50.23,;9.64,-49.6,;8.61,-50.75,;7.07,-50.59,;6.45,-49.19,;7.35,-47.94,;6.72,-46.54,;4.92,-49.03,;4.01,-50.27,;4.63,-51.68,;6.16,-51.85,;6.79,-53.26,;5.88,-54.5,;12.38,-49.45,;12.37,-47.91,;13.71,-50.22,;15.04,-49.45,;15.04,-47.91,;16.37,-47.14,;16.37,-45.6,;17.7,-44.83,;17.71,-43.3,;16.37,-42.52,;15.04,-43.29,;15.03,-44.84,;16.38,-50.22,;17.71,-49.44,;17.71,-47.9,;19.05,-50.21,;20.38,-49.44,;21.87,-49.84,;22.27,-48.35,;20.78,-47.95,)|
Show InChI InChI=1S/C30H44N4O4/c1-4-18-34-25(29-26(37-2)14-9-15-27(29)38-3)20-24(33-34)30(36)32-23(17-16-21-10-6-5-7-11-21)19-28(35)31-22-12-8-13-22/h9,14-15,20-23H,4-8,10-13,16-19H2,1-3H3,(H,31,35)(H,32,36)/t23-/m0/s1
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n/an/an/an/a 78n/an/an/an/a



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Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHOK1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544722
PNG
(CHEMBL4647332)
Show SMILES COC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:8.8,(23.73,-48.34,;22.4,-49.11,;21.06,-48.34,;21.06,-46.8,;19.73,-49.12,;18.4,-48.35,;17.06,-49.12,;17.07,-50.66,;15.73,-48.35,;15.73,-46.81,;17.06,-46.04,;17.06,-44.5,;18.39,-43.73,;18.39,-42.2,;17.06,-41.42,;15.72,-42.19,;15.72,-43.74,;14.4,-49.12,;13.06,-48.36,;13.06,-46.82,;11.73,-49.13,;10.32,-48.5,;9.29,-49.65,;7.76,-49.5,;7.13,-48.09,;8.03,-46.85,;7.41,-45.44,;5.6,-47.93,;4.69,-49.18,;5.31,-50.59,;6.85,-50.75,;7.47,-52.16,;6.57,-53.4,;10.06,-50.98,;9.45,-52.39,;10.36,-53.63,;9.74,-55.04,;11.89,-53.46,;11.57,-50.66,)|
Show InChI InChI=1S/C29H36N4O6/c1-19(2)18-33-23(27-24(37-3)12-9-13-25(27)38-4)16-22(32-33)29(36)31-21(28(35)30-17-26(34)39-5)15-14-20-10-7-6-8-11-20/h6-13,16,19,21H,14-15,17-18H2,1-5H3,(H,30,35)(H,31,36)/t21-/m0/s1
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n/an/an/an/a 2.33E+3n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHOK1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544723
PNG
(CHEMBL4649282)
Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NCC(O)=O |r,wU:22.24,(63.7,-46.9,;64.33,-48.31,;63.43,-49.55,;61.9,-49.39,;60.99,-50.64,;61.61,-52.05,;63.14,-52.21,;63.77,-53.62,;62.86,-54.87,;64.05,-50.96,;65.59,-51.11,;66.62,-49.97,;68.02,-50.59,;67.87,-52.12,;66.36,-52.45,;65.74,-53.85,;66.65,-55.09,;66.04,-56.5,;68.19,-54.92,;69.36,-49.82,;69.35,-48.28,;70.69,-50.59,;72.02,-49.81,;72.02,-48.27,;73.35,-47.5,;73.35,-45.96,;74.68,-45.19,;74.69,-43.66,;73.35,-42.89,;72.02,-43.66,;72.01,-45.2,;73.36,-50.58,;74.69,-49.81,;74.69,-48.27,;76.03,-50.58,;77.36,-49.81,;78.69,-50.57,;80.03,-49.8,;78.7,-52.11,)|
Show InChI InChI=1S/C29H42N4O6/c1-19(2)18-33-23(28-24(38-3)11-8-12-25(28)39-4)16-22(32-33)29(37)31-21(15-26(34)30-17-27(35)36)14-13-20-9-6-5-7-10-20/h8,11-12,16,19-21H,5-7,9-10,13-15,17-18H2,1-4H3,(H,30,34)(H,31,37)(H,35,36)/t21-/m0/s1
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n/an/an/an/a 8.87E+3n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHOK1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544724
PNG
(CHEMBL4641469)
Show SMILES COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:23.26,(40.31,-5.59,;40.93,-6.99,;40.03,-8.24,;38.5,-8.08,;37.59,-9.32,;38.21,-10.73,;39.75,-10.9,;40.37,-12.31,;39.47,-13.55,;40.66,-9.64,;42.19,-9.8,;43.22,-8.65,;44.63,-9.28,;44.47,-10.81,;42.96,-11.13,;42.35,-12.54,;40.85,-12.87,;40.69,-14.4,;42.1,-15.01,;43.12,-13.87,;45.96,-8.5,;45.96,-6.96,;47.3,-9.27,;48.63,-8.5,;48.63,-6.96,;49.96,-6.19,;49.96,-4.65,;51.29,-3.88,;51.29,-2.35,;49.96,-1.57,;48.62,-2.34,;48.62,-3.89,;49.96,-9.27,;51.3,-8.49,;52.63,-9.26,;51.29,-6.95,)|
Show InChI InChI=1S/C28H39N3O5/c1-35-24-13-8-14-25(36-2)27(24)23-18-22(30-31(23)21-11-6-7-12-21)28(34)29-20(17-26(32)33)16-15-19-9-4-3-5-10-19/h8,13-14,18-21H,3-7,9-12,15-17H2,1-2H3,(H,29,34)(H,32,33)/t20-/m0/s1
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n/an/an/an/a 2.47E+3n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHOK1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544725
PNG
(CHEMBL4643789)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:25.28,(65.64,-25.66,;66.26,-27.06,;65.36,-28.3,;63.83,-28.14,;62.92,-29.39,;63.54,-30.8,;65.07,-30.97,;65.7,-32.37,;64.79,-33.62,;65.99,-29.71,;67.52,-29.86,;68.55,-28.72,;69.96,-29.34,;69.8,-30.87,;68.3,-31.2,;67.67,-32.6,;66.15,-32.77,;65.54,-34.17,;66.44,-35.41,;65.83,-36.82,;67.97,-35.24,;68.59,-33.83,;71.29,-28.57,;71.28,-27.03,;72.62,-29.34,;73.95,-28.56,;73.95,-27.02,;75.29,-26.25,;75.28,-24.71,;76.62,-23.94,;76.62,-22.41,;75.29,-21.64,;73.95,-22.4,;73.94,-23.95,;75.29,-29.33,;76.62,-28.56,;76.62,-27.02,;77.96,-29.33,;79.29,-28.55,;80.78,-28.96,;81.18,-27.47,;79.69,-27.07,)|
Show InChI InChI=1S/C33H41FN4O4/c1-41-29-12-7-13-30(42-2)32(29)28-21-27(37-38(28)26-18-15-23(34)16-19-26)33(40)36-25(17-14-22-8-4-3-5-9-22)20-31(39)35-24-10-6-11-24/h7,12-13,15-16,18-19,21-22,24-25H,3-6,8-11,14,17,20H2,1-2H3,(H,35,39)(H,36,40)/t25-/m0/s1
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n/an/an/an/a 425n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells co-expressing Galphaq16 assessed as increase in intracellular calcium mobilizati...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50544722
PNG
(CHEMBL4647332)
Show SMILES COC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:8.8,(23.73,-48.34,;22.4,-49.11,;21.06,-48.34,;21.06,-46.8,;19.73,-49.12,;18.4,-48.35,;17.06,-49.12,;17.07,-50.66,;15.73,-48.35,;15.73,-46.81,;17.06,-46.04,;17.06,-44.5,;18.39,-43.73,;18.39,-42.2,;17.06,-41.42,;15.72,-42.19,;15.72,-43.74,;14.4,-49.12,;13.06,-48.36,;13.06,-46.82,;11.73,-49.13,;10.32,-48.5,;9.29,-49.65,;7.76,-49.5,;7.13,-48.09,;8.03,-46.85,;7.41,-45.44,;5.6,-47.93,;4.69,-49.18,;5.31,-50.59,;6.85,-50.75,;7.47,-52.16,;6.57,-53.4,;10.06,-50.98,;9.45,-52.39,;10.36,-53.63,;9.74,-55.04,;11.89,-53.46,;11.57,-50.66,)|
Show InChI InChI=1S/C29H36N4O6/c1-19(2)18-33-23(27-24(37-3)12-9-13-25(27)38-4)16-22(32-33)29(36)31-21(28(35)30-17-26(34)39-5)15-14-20-10-7-6-8-11-20/h6-13,16,19,21H,14-15,17-18H2,1-5H3,(H,30,35)(H,31,36)/t21-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor stably expressed in CHO cells co-expressing Galphaq16 assessed as increase in intracellular calcium mobilizati...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115237
BindingDB Entry DOI: 10.7270/Q2J67MJX
More data for this
Ligand-Target Pair
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