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Compile Data Set for Download or QSAR

Found 265 hits of ec50 data for polymerid = 4795   
Target
(Institution)
LigandTarget
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)
BDBM50078006
PNG
(CHEMBL3417385)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(O)=O
Show InChI InChI=1/C77H114N22O17/c1-4-5-18-52(73(113)99-36-15-24-60(99)72(112)95-56(75(115)116)38-45-25-27-47(28-26-45)63(103)46-16-7-6-8-17-46)92-70(110)58-22-13-34-97(58)62(102)41-86-64(104)49(19-9-10-31-78)89-68(108)55(39-48-40-83-43-87-48)94-69(109)57(42-100)96-67(107)54(37-44(2)3)93-65(105)50(20-11-32-84-76(79)80)90-71(111)59-23-14-35-98(59)74(114)53(21-12-33-85-77(81)82)91-66(106)51-29-30-61(101)88-51/h6-8,16-17,25-28,40,43-44,49-60,100H,4-5,9-15,18-24,29-39,41-42,78H2,1-3H3,(H,83,87)(H,86,104)(H,88,101)(H,89,108)(H,90,111)(H,91,106)(H,92,110)(H,93,105)(H,94,109)(H,95,112)(H,96,107)(H,115,116)(H4,79,80,84)(H4,81,82,85)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/s2
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n/an/an/an/a 0.0400n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078002
PNG
(CHEMBL3417389)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C71H112N22O16/c1-5-6-19-47(66(106)93-33-16-25-54(93)65(105)90-71(4,68(108)109)36-42-17-8-7-9-18-42)86-63(103)52-23-14-31-91(52)56(96)38-80-57(97)44(20-10-11-28-72)83-61(101)50(35-43-37-77-40-81-43)88-62(102)51(39-94)89-60(100)49(34-41(2)3)87-58(98)45(21-12-29-78-69(73)74)84-64(104)53-24-15-32-92(53)67(107)48(22-13-30-79-70(75)76)85-59(99)46-26-27-55(95)82-46/h7-9,17-18,37,40-41,44-54,94H,5-6,10-16,19-36,38-39,72H2,1-4H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,98)(H,88,102)(H,89,100)(H,90,105)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,71-/s2
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n/an/an/an/a 0.0700n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077994
PNG
(CHEMBL3417378)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(C)cc1)C(O)=O
Show InChI InChI=1/C71H112N22O16/c1-5-6-14-47(67(106)93-32-13-20-55(93)66(105)89-51(69(108)109)34-42-23-21-41(4)22-24-42)86-64(103)53-18-11-30-91(53)57(96)37-80-58(97)44(15-7-8-27-72)83-62(101)50(35-43-36-77-39-81-43)88-63(102)52(38-94)90-61(100)49(33-40(2)3)87-59(98)45(16-9-28-78-70(73)74)84-65(104)54-19-12-31-92(54)68(107)48(17-10-29-79-71(75)76)85-60(99)46-25-26-56(95)82-46/h21-24,36,39-40,44-55,94H,5-20,25-35,37-38,72H2,1-4H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,98)(H,88,102)(H,89,105)(H,90,100)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/s2
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n/an/an/an/a 0.170n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077995
PNG
(CHEMBL3417377)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OC)cc1)C(O)=O
Show InChI InChI=1/C71H112N22O17/c1-5-6-14-47(67(106)93-32-13-20-55(93)66(105)89-51(69(108)109)34-41-21-23-43(110-4)24-22-41)86-64(103)53-18-11-30-91(53)57(96)37-80-58(97)44(15-7-8-27-72)83-62(101)50(35-42-36-77-39-81-42)88-63(102)52(38-94)90-61(100)49(33-40(2)3)87-59(98)45(16-9-28-78-70(73)74)84-65(104)54-19-12-31-92(54)68(107)48(17-10-29-79-71(75)76)85-60(99)46-25-26-56(95)82-46/h21-24,36,39-40,44-55,94H,5-20,25-35,37-38,72H2,1-4H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,98)(H,88,102)(H,89,105)(H,90,100)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/s2
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n/an/an/an/a 0.230n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078008
PNG
(CHEMBL3417383)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C(O)=O
Show InChI InChI=1/C71H112N22O16/c1-4-5-18-47(67(106)93-34-15-24-55(93)66(105)87-49(69(108)109)26-25-42-16-7-6-8-17-42)86-64(103)53-22-13-32-91(53)57(96)38-80-58(97)44(19-9-10-29-72)83-62(101)51(36-43-37-77-40-81-43)89-63(102)52(39-94)90-61(100)50(35-41(2)3)88-59(98)45(20-11-30-78-70(73)74)84-65(104)54-23-14-33-92(54)68(107)48(21-12-31-79-71(75)76)85-60(99)46-27-28-56(95)82-46/h6-8,16-17,37,40-41,44-55,94H,4-5,9-15,18-36,38-39,72H2,1-3H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,105)(H,88,98)(H,89,102)(H,90,100)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/s2
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n/an/an/an/a 0.240n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078007
PNG
(CHEMBL3417384)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O
Show InChI InChI=1/C77H116N22O17/c1-4-5-18-53(73(112)99-36-15-24-61(99)72(111)95-57(75(114)115)38-46-25-27-49(28-26-46)116-43-47-16-7-6-8-17-47)92-70(109)59-22-13-34-97(59)63(102)41-86-64(103)50(19-9-10-31-78)89-68(107)56(39-48-40-83-44-87-48)94-69(108)58(42-100)96-67(106)55(37-45(2)3)93-65(104)51(20-11-32-84-76(79)80)90-71(110)60-23-14-35-98(60)74(113)54(21-12-33-85-77(81)82)91-66(105)52-29-30-62(101)88-52/h6-8,16-17,25-28,40,44-45,50-61,100H,4-5,9-15,18-24,29-39,41-43,78H2,1-3H3,(H,83,87)(H,86,103)(H,88,101)(H,89,107)(H,90,110)(H,91,105)(H,92,109)(H,93,104)(H,94,108)(H,95,111)(H,96,106)(H,114,115)(H4,79,80,84)(H4,81,82,85)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/s2
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n/an/an/an/a 0.350n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
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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n/an/an/an/a 0.420n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor (unknown origin) expressed in CHO cells co-expressing with Calphaq16 assessed as calcium mobilization


Bioorg Med Chem 22: 2992-7 (2014)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077993
PNG
(CHEMBL3417379)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccncc1)C(O)=O
Show InChI InChI=1/C69H109N23O16/c1-4-5-13-45(65(105)92-31-12-19-53(92)64(104)88-49(67(107)108)33-40-22-27-75-28-23-40)85-62(102)51-17-10-29-90(51)55(95)36-79-56(96)42(14-6-7-24-70)82-60(100)48(34-41-35-76-38-80-41)87-61(101)50(37-93)89-59(99)47(32-39(2)3)86-57(97)43(15-8-25-77-68(71)72)83-63(103)52-18-11-30-91(52)66(106)46(16-9-26-78-69(73)74)84-58(98)44-20-21-54(94)81-44/h22-23,27-28,35,38-39,42-53,93H,4-21,24-26,29-34,36-37,70H2,1-3H3,(H,76,80)(H,79,96)(H,81,94)(H,82,100)(H,83,103)(H,84,98)(H,85,102)(H,86,97)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,71,72,77)(H4,73,74,78)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/s2
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n/an/an/an/a 0.450n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077999
PNG
(CHEMBL3417291)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1/C70H110N22O16/c1-4-5-18-46(66(105)92-32-15-24-54(92)65(104)88-50(68(107)108)34-41-16-7-6-8-17-41)85-63(102)52-22-13-30-90(52)56(95)37-79-57(96)43(19-9-10-27-71)82-61(100)49(35-42-36-76-39-80-42)87-62(101)51(38-93)89-60(99)48(33-40(2)3)86-58(97)44(20-11-28-77-69(72)73)83-64(103)53-23-14-31-91(53)67(106)47(21-12-29-78-70(74)75)84-59(98)45-25-26-55(94)81-45/h6-8,16-17,36,39-40,43-54,93H,4-5,9-15,18-35,37-38,71H2,1-3H3,(H,76,80)(H,79,96)(H,81,94)(H,82,100)(H,83,103)(H,84,98)(H,85,102)(H,86,97)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,72,73,77)(H4,74,75,78)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/s2
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n/an/an/an/a 0.530n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078005
PNG
(CHEMBL3417386)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C\C=C\c1ccccc1)C(O)=O
Show InChI InChI=1/C72H112N22O16/c1-4-5-20-48(68(107)94-35-16-27-56(94)67(106)88-50(70(109)110)22-11-19-43-17-7-6-8-18-43)87-65(104)54-25-14-33-92(54)58(97)39-81-59(98)45(21-9-10-30-73)84-63(102)52(37-44-38-78-41-82-44)90-64(103)53(40-95)91-62(101)51(36-42(2)3)89-60(99)46(23-12-31-79-71(74)75)85-66(105)55-26-15-34-93(55)69(108)49(24-13-32-80-72(76)77)86-61(100)47-28-29-57(96)83-47/h6-8,11,17-19,38,41-42,45-56,95H,4-5,9-10,12-16,20-37,39-40,73H2,1-3H3,(H,78,82)(H,81,98)(H,83,96)(H,84,102)(H,85,105)(H,86,100)(H,87,104)(H,88,106)(H,89,99)(H,90,103)(H,91,101)(H,109,110)(H4,74,75,79)(H4,76,77,80)/b19-11+/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/s2
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n/an/an/an/a 0.630n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077993
PNG
(CHEMBL3417379)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccncc1)C(O)=O
Show InChI InChI=1/C69H109N23O16/c1-4-5-13-45(65(105)92-31-12-19-53(92)64(104)88-49(67(107)108)33-40-22-27-75-28-23-40)85-62(102)51-17-10-29-90(51)55(95)36-79-56(96)42(14-6-7-24-70)82-60(100)48(34-41-35-76-38-80-41)87-61(101)50(37-93)89-59(99)47(32-39(2)3)86-57(97)43(15-8-25-77-68(71)72)83-63(103)52-18-11-30-91(52)66(106)46(16-9-26-78-69(73)74)84-58(98)44-20-21-54(94)81-44/h22-23,27-28,35,38-39,42-53,93H,4-21,24-26,29-34,36-37,70H2,1-3H3,(H,76,80)(H,79,96)(H,81,94)(H,82,100)(H,83,103)(H,84,98)(H,85,102)(H,86,97)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,71,72,77)(H4,73,74,78)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/s2
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n/an/an/an/a 0.730n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
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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n/an/an/an/a 0.840n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078001
PNG
(CHEMBL3417390)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@](C)(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C71H112N22O16/c1-5-6-19-47(66(106)93-33-16-25-54(93)65(105)90-71(4,68(108)109)36-42-17-8-7-9-18-42)86-63(103)52-23-14-31-91(52)56(96)38-80-57(97)44(20-10-11-28-72)83-61(101)50(35-43-37-77-40-81-43)88-62(102)51(39-94)89-60(100)49(34-41(2)3)87-58(98)45(21-12-29-78-69(73)74)84-64(104)53-24-15-32-92(53)67(107)48(22-13-30-79-70(75)76)85-59(99)46-26-27-55(95)82-46/h7-9,17-18,37,40-41,44-54,94H,5-6,10-16,19-36,38-39,72H2,1-4H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,98)(H,88,102)(H,89,100)(H,90,105)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,71+/s2
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n/an/an/an/a 0.860n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50014620
PNG
(CHEMBL414173)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C69H111N23O16S/c1-39(2)32-47(86-58(98)44(17-9-26-78-68(73)74)83-63(103)52-20-12-29-91(52)65(105)45(18-10-27-79-69(75)76)84-56(96)42(71)22-23-54(72)94)59(99)89-50(37-93)61(101)87-48(34-41-35-77-38-81-41)60(100)82-43(16-7-8-25-70)57(97)80-36-55(95)90-28-11-19-51(90)62(102)85-46(24-31-109-3)66(106)92-30-13-21-53(92)64(104)88-49(67(107)108)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,93H,7-13,16-34,36-37,70-71H2,1-3H3,(H2,72,94)(H,77,81)(H,80,97)(H,82,100)(H,83,103)(H,84,96)(H,85,102)(H,86,98)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,73,74,78)(H4,75,76,79)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
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n/an/an/an/a 0.870n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor (unknown origin) expressed in CHO cells co-expressing with Calphaq16 assessed as calcium mobilization


Bioorg Med Chem 22: 2992-7 (2014)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078006
PNG
(CHEMBL3417385)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(O)=O
Show InChI InChI=1/C77H114N22O17/c1-4-5-18-52(73(113)99-36-15-24-60(99)72(112)95-56(75(115)116)38-45-25-27-47(28-26-45)63(103)46-16-7-6-8-17-46)92-70(110)58-22-13-34-97(58)62(102)41-86-64(104)49(19-9-10-31-78)89-68(108)55(39-48-40-83-43-87-48)94-69(109)57(42-100)96-67(107)54(37-44(2)3)93-65(105)50(20-11-32-84-76(79)80)90-71(111)59-23-14-35-98(59)74(114)53(21-12-33-85-77(81)82)91-66(106)51-29-30-61(101)88-51/h6-8,16-17,25-28,40,43-44,49-60,100H,4-5,9-15,18-24,29-39,41-42,78H2,1-3H3,(H,83,87)(H,86,104)(H,88,101)(H,89,108)(H,90,111)(H,91,106)(H,92,110)(H,93,105)(H,94,109)(H,95,112)(H,96,107)(H,115,116)(H4,79,80,84)(H4,81,82,85)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/s2
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n/an/an/an/a 0.910n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078007
PNG
(CHEMBL3417384)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O
Show InChI InChI=1/C77H116N22O17/c1-4-5-18-53(73(112)99-36-15-24-61(99)72(111)95-57(75(114)115)38-46-25-27-49(28-26-46)116-43-47-16-7-6-8-17-47)92-70(109)59-22-13-34-97(59)63(102)41-86-64(103)50(19-9-10-31-78)89-68(107)56(39-48-40-83-44-87-48)94-69(108)58(42-100)96-67(106)55(37-45(2)3)93-65(104)51(20-11-32-84-76(79)80)90-71(110)60-23-14-35-98(60)74(113)54(21-12-33-85-77(81)82)91-66(105)52-29-30-62(101)88-52/h6-8,16-17,25-28,40,44-45,50-61,100H,4-5,9-15,18-24,29-39,41-43,78H2,1-3H3,(H,83,87)(H,86,103)(H,88,101)(H,89,107)(H,90,110)(H,91,105)(H,92,109)(H,93,104)(H,94,108)(H,95,111)(H,96,106)(H,114,115)(H4,79,80,84)(H4,81,82,85)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/s2
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n/an/an/an/a 1.10n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078000
PNG
(CHEMBL3414601)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)NC1(CCc2ccccc12)C(O)=O
Show InChI InChI=1/C71H110N22O16/c1-4-5-17-47(66(106)93-33-14-23-54(93)65(105)90-71(68(108)109)27-26-41-15-6-7-16-43(41)71)86-63(103)52-21-12-31-91(52)56(96)37-80-57(97)44(18-8-9-28-72)83-61(101)50(35-42-36-77-39-81-42)88-62(102)51(38-94)89-60(100)49(34-40(2)3)87-58(98)45(19-10-29-78-69(73)74)84-64(104)53-22-13-32-92(53)67(107)48(20-11-30-79-70(75)76)85-59(99)46-24-25-55(95)82-46/h6-7,15-16,36,39-40,44-54,94H,4-5,8-14,17-35,37-38,72H2,1-3H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,98)(H,88,102)(H,89,100)(H,90,105)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,71?/s2
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Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50014621
PNG
(CHEMBL3261778)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)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(C)=O)C(N)=O
Show InChI InChI=1S/C50H90N18O11/c1-27(2)24-35(40(52)71)65-46(77)37-17-12-22-67(37)39(70)26-59-43(74)32(14-8-9-19-51)63-42(73)30(6)60-41(72)29(5)61-45(76)36(25-28(3)4)66-44(75)33(15-10-20-57-49(53)54)64-47(78)38-18-13-23-68(38)48(79)34(62-31(7)69)16-11-21-58-50(55)56/h27-30,32-38H,8-26,51H2,1-7H3,(H2,52,71)(H,59,74)(H,60,72)(H,61,76)(H,62,69)(H,63,73)(H,64,78)(H,65,77)(H,66,75)(H4,53,54,57)(H4,55,56,58)/t29-,30-,32-,33-,34-,35-,36-,37-,38-/m0/s1
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RTI International

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor (unknown origin) expressed in CHO cells co-expressing with Calphaq16 assessed as calcium mobilization


Bioorg Med Chem 22: 2992-7 (2014)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078003
PNG
(CHEMBL3417388)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1csc2ccccc12)C(O)=O
Show InChI InChI=1/C72H110N22O16S/c1-4-5-16-47(68(107)94-31-14-22-55(94)67(106)90-51(70(109)110)33-41-38-111-56-23-7-6-15-43(41)56)87-65(104)53-20-12-29-92(53)58(97)36-81-59(98)44(17-8-9-26-73)84-63(102)50(34-42-35-78-39-82-42)89-64(103)52(37-95)91-62(101)49(32-40(2)3)88-60(99)45(18-10-27-79-71(74)75)85-66(105)54-21-13-30-93(54)69(108)48(19-11-28-80-72(76)77)86-61(100)46-24-25-57(96)83-46/h6-7,15,23,35,38-40,44-55,95H,4-5,8-14,16-22,24-34,36-37,73H2,1-3H3,(H,78,82)(H,81,98)(H,83,96)(H,84,102)(H,85,105)(H,86,100)(H,87,104)(H,88,99)(H,89,103)(H,90,106)(H,91,101)(H,109,110)(H4,74,75,79)(H4,76,77,80)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/s2
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Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078003
PNG
(CHEMBL3417388)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1csc2ccccc12)C(O)=O
Show InChI InChI=1/C72H110N22O16S/c1-4-5-16-47(68(107)94-31-14-22-55(94)67(106)90-51(70(109)110)33-41-38-111-56-23-7-6-15-43(41)56)87-65(104)53-20-12-29-92(53)58(97)36-81-59(98)44(17-8-9-26-73)84-63(102)50(34-42-35-78-39-82-42)89-64(103)52(37-95)91-62(101)49(32-40(2)3)88-60(99)45(18-10-27-79-71(74)75)85-66(105)54-21-13-30-93(54)69(108)48(19-11-28-80-72(76)77)86-61(100)46-24-25-57(96)83-46/h6-7,15,23,35,38-40,44-55,95H,4-5,8-14,16-22,24-34,36-37,73H2,1-3H3,(H,78,82)(H,81,98)(H,83,96)(H,84,102)(H,85,105)(H,86,100)(H,87,104)(H,88,99)(H,89,103)(H,90,106)(H,91,101)(H,109,110)(H4,74,75,79)(H4,76,77,80)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/s2
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Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077997
PNG
(CHEMBL3417375)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1/C67H112N22O16/c1-6-7-15-43(63(102)89-29-14-21-51(89)62(101)85-47(65(104)105)31-38(4)5)82-60(99)49-19-12-27-87(49)53(92)34-76-54(93)40(16-8-9-24-68)79-58(97)46(32-39-33-73-36-77-39)84-59(98)48(35-90)86-57(96)45(30-37(2)3)83-55(94)41(17-10-25-74-66(69)70)80-61(100)50-20-13-28-88(50)64(103)44(18-11-26-75-67(71)72)81-56(95)42-22-23-52(91)78-42/h33,36-38,40-51,90H,6-32,34-35,68H2,1-5H3,(H,73,77)(H,76,93)(H,78,91)(H,79,97)(H,80,100)(H,81,95)(H,82,99)(H,83,94)(H,84,98)(H,85,101)(H,86,96)(H,104,105)(H4,69,70,74)(H4,71,72,75)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/s2
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Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077995
PNG
(CHEMBL3417377)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OC)cc1)C(O)=O
Show InChI InChI=1/C71H112N22O17/c1-5-6-14-47(67(106)93-32-13-20-55(93)66(105)89-51(69(108)109)34-41-21-23-43(110-4)24-22-41)86-64(103)53-18-11-30-91(53)57(96)37-80-58(97)44(15-7-8-27-72)83-62(101)50(35-42-36-77-39-81-42)88-63(102)52(38-94)90-61(100)49(33-40(2)3)87-59(98)45(16-9-28-78-70(73)74)84-65(104)54-19-12-31-92(54)68(107)48(17-10-29-79-71(75)76)85-60(99)46-25-26-56(95)82-46/h21-24,36,39-40,44-55,94H,5-20,25-35,37-38,72H2,1-4H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,98)(H,88,102)(H,89,105)(H,90,100)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/s2
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Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078008
PNG
(CHEMBL3417383)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C(O)=O
Show InChI InChI=1/C71H112N22O16/c1-4-5-18-47(67(106)93-34-15-24-55(93)66(105)87-49(69(108)109)26-25-42-16-7-6-8-17-42)86-64(103)53-22-13-32-91(53)57(96)38-80-58(97)44(19-9-10-29-72)83-62(101)51(36-43-37-77-40-81-43)89-63(102)52(39-94)90-61(100)50(35-41(2)3)88-59(98)45(20-11-30-78-70(73)74)84-65(104)54-23-14-33-92(54)68(107)48(21-12-31-79-71(75)76)85-60(99)46-27-28-56(95)82-46/h6-8,16-17,37,40-41,44-55,94H,4-5,9-15,18-36,38-39,72H2,1-3H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,105)(H,88,98)(H,89,102)(H,90,100)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/s2
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Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078000
PNG
(CHEMBL3414601)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)NC1(CCc2ccccc12)C(O)=O
Show InChI InChI=1/C71H110N22O16/c1-4-5-17-47(66(106)93-33-14-23-54(93)65(105)90-71(68(108)109)27-26-41-15-6-7-16-43(41)71)86-63(103)52-21-12-31-91(52)56(96)37-80-57(97)44(18-8-9-28-72)83-61(101)50(35-42-36-77-39-81-42)88-62(102)51(38-94)89-60(100)49(34-40(2)3)87-58(98)45(19-10-29-78-69(73)74)84-64(104)53-22-13-32-92(53)67(107)48(20-11-30-79-70(75)76)85-59(99)46-24-25-55(95)82-46/h6-7,15-16,36,39-40,44-54,94H,4-5,8-14,17-35,37-38,72H2,1-3H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,98)(H,88,102)(H,89,100)(H,90,105)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,71?/s2
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n/an/an/an/a 1.40n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078007
PNG
(CHEMBL3417384)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O
Show InChI InChI=1/C77H116N22O17/c1-4-5-18-53(73(112)99-36-15-24-61(99)72(111)95-57(75(114)115)38-46-25-27-49(28-26-46)116-43-47-16-7-6-8-17-47)92-70(109)59-22-13-34-97(59)63(102)41-86-64(103)50(19-9-10-31-78)89-68(107)56(39-48-40-83-44-87-48)94-69(108)58(42-100)96-67(106)55(37-45(2)3)93-65(104)51(20-11-32-84-76(79)80)90-71(110)60-23-14-35-98(60)74(113)54(21-12-33-85-77(81)82)91-66(105)52-29-30-62(101)88-52/h6-8,16-17,25-28,40,44-45,50-61,100H,4-5,9-15,18-24,29-39,41-43,78H2,1-3H3,(H,83,87)(H,86,103)(H,88,101)(H,89,107)(H,90,110)(H,91,105)(H,92,109)(H,93,104)(H,94,108)(H,95,111)(H,96,106)(H,114,115)(H4,79,80,84)(H4,81,82,85)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/s2
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Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of GalphaoA subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
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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Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077994
PNG
(CHEMBL3417378)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(C)cc1)C(O)=O
Show InChI InChI=1/C71H112N22O16/c1-5-6-14-47(67(106)93-32-13-20-55(93)66(105)89-51(69(108)109)34-42-23-21-41(4)22-24-42)86-64(103)53-18-11-30-91(53)57(96)37-80-58(97)44(15-7-8-27-72)83-62(101)50(35-43-36-77-39-81-43)88-63(102)52(38-94)90-61(100)49(33-40(2)3)87-59(98)45(16-9-28-78-70(73)74)84-65(104)54-19-12-31-92(54)68(107)48(17-10-29-79-71(75)76)85-60(99)46-25-26-56(95)82-46/h21-24,36,39-40,44-55,94H,5-20,25-35,37-38,72H2,1-4H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,98)(H,88,102)(H,89,105)(H,90,100)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/s2
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Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50014622
PNG
(CHEMBL3261787)
Show SMILES CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O
Show InChI InChI=1S/C50H90N16O11/c1-28(2)25-36(41(53)69)63-47(75)38-18-13-23-65(38)40(68)27-57-44(72)33(15-8-10-20-51)61-43(71)31(6)58-42(70)30(5)59-46(74)37(26-29(3)4)64-45(73)34(16-9-11-21-52)62-48(76)39-19-14-24-66(39)49(77)35(60-32(7)67)17-12-22-56-50(54)55/h28-31,33-39H,8-27,51-52H2,1-7H3,(H2,53,69)(H,57,72)(H,58,70)(H,59,74)(H,60,67)(H,61,71)(H,62,76)(H,63,75)(H,64,73)(H4,54,55,56)/t30-,31-,33-,34-,35-,36-,37-,38+,39-/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor (unknown origin) expressed in CHO cells co-expressing with Calphaq16 assessed as calcium mobilization


Bioorg Med Chem 22: 2992-7 (2014)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50014623
PNG
(CHEMBL3261776)
Show SMILES CC(C)C[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(C)=O)C(N)=O
Show InChI InChI=1S/C53H92N20O12/c1-29(2)22-36(43(55)77)68-49(83)40-15-10-20-72(40)42(76)26-63-44(78)33(12-6-7-17-54)66-47(81)38(24-32-25-60-28-64-32)70-48(82)39(27-74)71-46(80)37(23-30(3)4)69-45(79)34(13-8-18-61-52(56)57)67-50(84)41-16-11-21-73(41)51(85)35(65-31(5)75)14-9-19-62-53(58)59/h25,28-30,33-41,74H,6-24,26-27,54H2,1-5H3,(H2,55,77)(H,60,64)(H,63,78)(H,65,75)(H,66,81)(H,67,84)(H,68,83)(H,69,79)(H,70,82)(H,71,80)(H4,56,57,61)(H4,58,59,62)/t33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor (unknown origin) expressed in CHO cells co-expressing with Calphaq16 assessed as calcium mobilization


Bioorg Med Chem 22: 2992-7 (2014)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172371
PNG
(CHEMBL3809818)
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)C1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1/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-/s2
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n/an/an/an/a 1.90n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK-293 cells assessed as dissociation of G-alpha-i1 protein after 5 mins by BRET assay


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077992
PNG
(CHEMBL3417380)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccnc1)C(O)=O
Show InChI InChI=1/C69H109N23O16/c1-4-5-15-45(65(105)92-30-13-21-53(92)64(104)88-49(67(107)108)32-40-14-8-25-75-34-40)85-62(102)51-19-11-28-90(51)55(95)36-79-56(96)42(16-6-7-24-70)82-60(100)48(33-41-35-76-38-80-41)87-61(101)50(37-93)89-59(99)47(31-39(2)3)86-57(97)43(17-9-26-77-68(71)72)83-63(103)52-20-12-29-91(52)66(106)46(18-10-27-78-69(73)74)84-58(98)44-22-23-54(94)81-44/h8,14,25,34-35,38-39,42-53,93H,4-7,9-13,15-24,26-33,36-37,70H2,1-3H3,(H,76,80)(H,79,96)(H,81,94)(H,82,100)(H,83,103)(H,84,98)(H,85,102)(H,86,97)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,71,72,77)(H4,73,74,78)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/s2
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Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50014624
PNG
(CHEMBL3261789)
Show SMILES CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C50H89N15O11/c1-9-10-16-33(44(71)56-27-40(67)64-23-14-19-38(64)47(74)62-36(41(52)68)25-28(2)3)60-43(70)31(7)57-42(69)30(6)58-46(73)37(26-29(4)5)63-45(72)34(17-11-12-21-51)61-48(75)39-20-15-24-65(39)49(76)35(59-32(8)66)18-13-22-55-50(53)54/h28-31,33-39H,9-27,51H2,1-8H3,(H2,52,68)(H,56,71)(H,57,69)(H,58,73)(H,59,66)(H,60,70)(H,61,75)(H,62,74)(H,63,72)(H4,53,54,55)/t30-,31-,33-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor (unknown origin) expressed in CHO cells co-expressing with Calphaq16 assessed as calcium mobilization


Bioorg Med Chem 22: 2992-7 (2014)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077992
PNG
(CHEMBL3417380)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccnc1)C(O)=O
Show InChI InChI=1/C69H109N23O16/c1-4-5-15-45(65(105)92-30-13-21-53(92)64(104)88-49(67(107)108)32-40-14-8-25-75-34-40)85-62(102)51-19-11-28-90(51)55(95)36-79-56(96)42(16-6-7-24-70)82-60(100)48(33-41-35-76-38-80-41)87-61(101)50(37-93)89-59(99)47(31-39(2)3)86-57(97)43(17-9-26-77-68(71)72)83-63(103)52-20-12-29-91(52)66(106)46(18-10-27-78-69(73)74)84-58(98)44-22-23-54(94)81-44/h8,14,25,34-35,38-39,42-53,93H,4-7,9-13,15-24,26-33,36-37,70H2,1-3H3,(H,76,80)(H,79,96)(H,81,94)(H,82,100)(H,83,103)(H,84,98)(H,85,102)(H,86,97)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,71,72,77)(H4,73,74,78)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/s2
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n/an/an/an/a 2.30n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077998
PNG
(CHEMBL3414600)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
Show InChI InChI=1/C67H112N22O16/c1-6-8-16-43(63(102)89-30-15-22-50(89)62(101)86-53(65(104)105)38(5)7-2)82-60(99)48-20-13-28-87(48)52(92)34-76-54(93)40(17-9-10-25-68)79-58(97)46(32-39-33-73-36-77-39)84-59(98)47(35-90)85-57(96)45(31-37(3)4)83-55(94)41(18-11-26-74-66(69)70)80-61(100)49-21-14-29-88(49)64(103)44(19-12-27-75-67(71)72)81-56(95)42-23-24-51(91)78-42/h33,36-38,40-50,53,90H,6-32,34-35,68H2,1-5H3,(H,73,77)(H,76,93)(H,78,91)(H,79,97)(H,80,100)(H,81,95)(H,82,99)(H,83,94)(H,84,98)(H,85,96)(H,86,101)(H,104,105)(H4,69,70,74)(H4,71,72,75)/t38-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,53-/s2
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n/an/an/an/a 2.5n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078002
PNG
(CHEMBL3417389)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C71H112N22O16/c1-5-6-19-47(66(106)93-33-16-25-54(93)65(105)90-71(4,68(108)109)36-42-17-8-7-9-18-42)86-63(103)52-23-14-31-91(52)56(96)38-80-57(97)44(20-10-11-28-72)83-61(101)50(35-43-37-77-40-81-43)88-62(102)51(39-94)89-60(100)49(34-41(2)3)87-58(98)45(21-12-29-78-69(73)74)84-64(104)53-24-15-32-92(53)67(107)48(22-13-30-79-70(75)76)85-59(99)46-26-27-55(95)82-46/h7-9,17-18,37,40-41,44-54,94H,5-6,10-16,19-36,38-39,72H2,1-4H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,98)(H,88,102)(H,89,100)(H,90,105)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,71-/s2
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n/an/an/an/a 2.70n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078009
PNG
(CHEMBL3417382)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1/C69H108N22O16/c1-4-5-18-45(65(104)91-32-15-24-52(91)64(103)88-55(67(106)107)40-16-7-6-8-17-40)84-62(101)50-22-13-30-89(50)54(94)36-78-56(95)42(19-9-10-27-70)81-60(99)48(34-41-35-75-38-79-41)86-61(100)49(37-92)87-59(98)47(33-39(2)3)85-57(96)43(20-11-28-76-68(71)72)82-63(102)51-23-14-31-90(51)66(105)46(21-12-29-77-69(73)74)83-58(97)44-25-26-53(93)80-44/h6-8,16-17,35,38-39,42-52,55,92H,4-5,9-15,18-34,36-37,70H2,1-3H3,(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,87,98)(H,88,103)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,55-/s2
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n/an/an/an/a 2.70n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077996
PNG
(CHEMBL3417376)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1/C66H110N22O16/c1-6-7-15-42(62(101)88-29-14-21-49(88)61(100)85-52(37(4)5)64(103)104)81-59(98)47-19-12-27-86(47)51(91)33-75-53(92)39(16-8-9-24-67)78-57(96)45(31-38-32-72-35-76-38)83-58(97)46(34-89)84-56(95)44(30-36(2)3)82-54(93)40(17-10-25-73-65(68)69)79-60(99)48-20-13-28-87(48)63(102)43(18-11-26-74-66(70)71)80-55(94)41-22-23-50(90)77-41/h32,35-37,39-49,52,89H,6-31,33-34,67H2,1-5H3,(H,72,76)(H,75,92)(H,77,90)(H,78,96)(H,79,99)(H,80,94)(H,81,98)(H,82,93)(H,83,97)(H,84,95)(H,85,100)(H,103,104)(H4,68,69,73)(H4,70,71,74)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,52-/s2
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n/an/an/an/a 2.70n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50027834
PNG
(CHEMBL3338689)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C82H133N17O17/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-34-65(104)95-66(48(6)7)77(112)98-69(53(12)102)80(115)94-63(42-47(4)5)81(116)99-40-29-33-64(99)76(111)92-60(41-46(2)3)74(109)91-62(44-55-45-87-58-31-27-26-30-57(55)58)73(108)88-50(9)72(107)96-68(52(11)101)79(114)93-61(43-54-35-37-56(103)38-36-54)75(110)97-67(51(10)100)78(113)89-49(8)71(106)90-59(70(83)105)32-28-39-86-82(84)85/h26-27,30-31,35-38,45-53,59-64,66-69,87,100-103H,13-25,28-29,32-34,39-44H2,1-12H3,(H2,83,105)(H,88,108)(H,89,113)(H,90,106)(H,91,109)(H,92,111)(H,93,114)(H,94,115)(H,95,104)(H,96,107)(H,97,110)(H,98,112)(H4,84,85,86)/t49-,50-,51+,52+,53+,59-,60-,61-,62-,63-,64-,66-,67-,68-,69-/s2
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n/an/an/an/a 2.70n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078001
PNG
(CHEMBL3417390)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@](C)(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C71H112N22O16/c1-5-6-19-47(66(106)93-33-16-25-54(93)65(105)90-71(4,68(108)109)36-42-17-8-7-9-18-42)86-63(103)52-23-14-31-91(52)56(96)38-80-57(97)44(20-10-11-28-72)83-61(101)50(35-43-37-77-40-81-43)88-62(102)51(39-94)89-60(100)49(34-41(2)3)87-58(98)45(21-12-29-78-69(73)74)84-64(104)53-24-15-32-92(53)67(107)48(22-13-30-79-70(75)76)85-59(99)46-26-27-55(95)82-46/h7-9,17-18,37,40-41,44-54,94H,5-6,10-16,19-36,38-39,72H2,1-4H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,98)(H,88,102)(H,89,100)(H,90,105)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,71+/s2
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n/an/an/an/a 2.80n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077997
PNG
(CHEMBL3417375)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1/C67H112N22O16/c1-6-7-15-43(63(102)89-29-14-21-51(89)62(101)85-47(65(104)105)31-38(4)5)82-60(99)49-19-12-27-87(49)53(92)34-76-54(93)40(16-8-9-24-68)79-58(97)46(32-39-33-73-36-77-39)84-59(98)48(35-90)86-57(96)45(30-37(2)3)83-55(94)41(17-10-25-74-66(69)70)80-61(100)50-20-13-28-88(50)64(103)44(18-11-26-75-67(71)72)81-56(95)42-22-23-52(91)78-42/h33,36-38,40-51,90H,6-32,34-35,68H2,1-5H3,(H,73,77)(H,76,93)(H,78,91)(H,79,97)(H,80,100)(H,81,95)(H,82,99)(H,83,94)(H,84,98)(H,85,101)(H,86,96)(H,104,105)(H4,69,70,74)(H4,71,72,75)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/s2
PDB

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n/an/an/an/a 2.90n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078010
PNG
(CHEMBL3417381)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccn1)C(O)=O
Show InChI InChI=1/C69H109N23O16/c1-4-5-16-45(65(105)92-31-14-22-53(92)64(104)88-49(67(107)108)33-40-15-7-9-26-76-40)85-62(102)51-20-12-29-90(51)55(95)36-79-56(96)42(17-6-8-25-70)82-60(100)48(34-41-35-75-38-80-41)87-61(101)50(37-93)89-59(99)47(32-39(2)3)86-57(97)43(18-10-27-77-68(71)72)83-63(103)52-21-13-30-91(52)66(106)46(19-11-28-78-69(73)74)84-58(98)44-23-24-54(94)81-44/h7,9,15,26,35,38-39,42-53,93H,4-6,8,10-14,16-25,27-34,36-37,70H2,1-3H3,(H,75,80)(H,79,96)(H,81,94)(H,82,100)(H,83,103)(H,84,98)(H,85,102)(H,86,97)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,71,72,77)(H4,73,74,78)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/s2
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n/an/an/an/a 3n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077998
PNG
(CHEMBL3414600)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
Show InChI InChI=1/C67H112N22O16/c1-6-8-16-43(63(102)89-30-15-22-50(89)62(101)86-53(65(104)105)38(5)7-2)82-60(99)48-20-13-28-87(48)52(92)34-76-54(93)40(17-9-10-25-68)79-58(97)46(32-39-33-73-36-77-39)84-59(98)47(35-90)85-57(96)45(31-37(3)4)83-55(94)41(18-11-26-74-66(69)70)80-61(100)49-21-14-29-88(49)64(103)44(19-12-27-75-67(71)72)81-56(95)42-23-24-51(91)78-42/h33,36-38,40-50,53,90H,6-32,34-35,68H2,1-5H3,(H,73,77)(H,76,93)(H,78,91)(H,79,97)(H,80,100)(H,81,95)(H,82,99)(H,83,94)(H,84,98)(H,85,96)(H,86,101)(H,104,105)(H4,69,70,74)(H4,71,72,75)/t38-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,53-/s2
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n/an/an/an/a 3.10n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50014625
PNG
(CHEMBL3261786)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C50H89N15O11/c1-9-10-16-34(61-48(75)39-20-15-24-65(39)49(76)35(59-32(8)66)18-13-22-55-50(53)54)45(72)63-37(26-29(4)5)46(73)58-30(6)42(69)57-31(7)43(70)60-33(17-11-12-21-51)44(71)56-27-40(67)64-23-14-19-38(64)47(74)62-36(41(52)68)25-28(2)3/h28-31,33-39H,9-27,51H2,1-8H3,(H2,52,68)(H,56,71)(H,57,69)(H,58,73)(H,59,66)(H,60,70)(H,61,75)(H,62,74)(H,63,72)(H4,53,54,55)/t30-,31-,33-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/an/an/a 3.20n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor (unknown origin) expressed in CHO cells co-expressing with Calphaq16 assessed as calcium mobilization


Bioorg Med Chem 22: 2992-7 (2014)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078005
PNG
(CHEMBL3417386)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C\C=C\c1ccccc1)C(O)=O
Show InChI InChI=1/C72H112N22O16/c1-4-5-20-48(68(107)94-35-16-27-56(94)67(106)88-50(70(109)110)22-11-19-43-17-7-6-8-18-43)87-65(104)54-25-14-33-92(54)58(97)39-81-59(98)45(21-9-10-30-73)84-63(102)52(37-44-38-78-41-82-44)90-64(103)53(40-95)91-62(101)51(36-42(2)3)89-60(99)46(23-12-31-79-71(74)75)85-66(105)55-26-15-34-93(55)69(108)49(24-13-32-80-72(76)77)86-61(100)47-28-29-57(96)83-47/h6-8,11,17-19,38,41-42,45-56,95H,4-5,9-10,12-16,20-37,39-40,73H2,1-3H3,(H,78,82)(H,81,98)(H,83,96)(H,84,102)(H,85,105)(H,86,100)(H,87,104)(H,88,106)(H,89,99)(H,90,103)(H,91,101)(H,109,110)(H4,74,75,79)(H4,76,77,80)/b19-11+/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/s2
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n/an/an/an/a 3.40n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078010
PNG
(CHEMBL3417381)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccn1)C(O)=O
Show InChI InChI=1/C69H109N23O16/c1-4-5-16-45(65(105)92-31-14-22-53(92)64(104)88-49(67(107)108)33-40-15-7-9-26-76-40)85-62(102)51-20-12-29-90(51)55(95)36-79-56(96)42(17-6-8-25-70)82-60(100)48(34-41-35-75-38-80-41)87-61(101)50(37-93)89-59(99)47(32-39(2)3)86-57(97)43(18-10-27-77-68(71)72)83-63(103)52-21-13-30-91(52)66(106)46(19-11-28-78-69(73)74)84-58(98)44-23-24-54(94)81-44/h7,9,15,26,35,38-39,42-53,93H,4-6,8,10-14,16-25,27-34,36-37,70H2,1-3H3,(H,75,80)(H,79,96)(H,81,94)(H,82,100)(H,83,103)(H,84,98)(H,85,102)(H,86,97)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,71,72,77)(H4,73,74,78)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/s2
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n/an/an/an/a 3.60n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078009
PNG
(CHEMBL3417382)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1/C69H108N22O16/c1-4-5-18-45(65(104)91-32-15-24-52(91)64(103)88-55(67(106)107)40-16-7-6-8-17-40)84-62(101)50-22-13-30-89(50)54(94)36-78-56(95)42(19-9-10-27-70)81-60(99)48(34-41-35-75-38-79-41)86-61(100)49(37-92)87-59(98)47(33-39(2)3)85-57(96)43(20-11-28-76-68(71)72)82-63(102)51-23-14-31-90(51)66(105)46(21-12-29-77-69(73)74)83-58(97)44-25-26-53(93)80-44/h6-8,16-17,35,38-39,42-52,55,92H,4-5,9-15,18-34,36-37,70H2,1-3H3,(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,87,98)(H,88,103)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,55-/s2
PDB

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n/an/an/an/a 4.20n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50014626
PNG
(CHEMBL3261773)
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(C)=O)C(N)=O
Show InChI InChI=1S/C52H90N20O12S/c1-29(2)23-36(68-44(78)34(12-7-18-60-51(55)56)67-49(83)40-15-10-21-72(40)50(84)35(64-30(3)74)13-8-19-61-52(57)58)45(79)70-38(27-73)47(81)69-37(24-31-25-59-28-63-31)46(80)66-33(11-5-6-17-53)43(77)62-26-41(75)71-20-9-14-39(71)48(82)65-32(42(54)76)16-22-85-4/h25,28-29,32-40,73H,5-24,26-27,53H2,1-4H3,(H2,54,76)(H,59,63)(H,62,77)(H,64,74)(H,65,82)(H,66,80)(H,67,83)(H,68,78)(H,69,81)(H,70,79)(H4,55,56,60)(H4,57,58,61)/t32-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
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n/an/an/an/a 4.40n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor (unknown origin) expressed in CHO cells co-expressing with Calphaq16 assessed as calcium mobilization


Bioorg Med Chem 22: 2992-7 (2014)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077999
PNG
(CHEMBL3417291)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1/C70H110N22O16/c1-4-5-18-46(66(105)92-32-15-24-54(92)65(104)88-50(68(107)108)34-41-16-7-6-8-17-41)85-63(102)52-22-13-30-90(52)56(95)37-79-57(96)43(19-9-10-27-71)82-61(100)49(35-42-36-76-39-80-42)87-62(101)51(38-93)89-60(99)48(33-40(2)3)86-58(97)44(20-11-28-77-69(72)73)83-64(103)53-23-14-31-91(53)67(106)47(21-12-29-78-70(74)75)84-59(98)45-25-26-55(94)81-45/h6-8,16-17,36,39-40,43-54,93H,4-5,9-15,18-35,37-38,71H2,1-3H3,(H,76,80)(H,79,96)(H,81,94)(H,82,100)(H,83,103)(H,84,98)(H,85,102)(H,86,97)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,72,73,77)(H4,74,75,78)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/s2
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n/an/an/an/a 4.5n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077996
PNG
(CHEMBL3417376)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1/C66H110N22O16/c1-6-7-15-42(62(101)88-29-14-21-49(88)61(100)85-52(37(4)5)64(103)104)81-59(98)47-19-12-27-86(47)51(91)33-75-53(92)39(16-8-9-24-67)78-57(96)45(31-38-32-72-35-76-38)83-58(97)46(34-89)84-56(95)44(30-36(2)3)82-54(93)40(17-10-25-73-65(68)69)79-60(99)48-20-13-28-87(48)63(102)43(18-11-26-74-66(70)71)80-55(94)41-22-23-50(90)77-41/h32,35-37,39-49,52,89H,6-31,33-34,67H2,1-5H3,(H,72,76)(H,75,92)(H,77,90)(H,78,96)(H,79,99)(H,80,94)(H,81,98)(H,82,93)(H,83,97)(H,84,95)(H,85,100)(H,103,104)(H4,68,69,73)(H4,70,71,74)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,52-/s2
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n/an/an/an/a 4.70n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated ...


J Med Chem 58: 2431-40 (2015)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50014627
PNG
(CHEMBL3261774)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H90N20O12/c1-32(2)25-40(72-48(82)37(16-9-21-64-55(59)60)70-53(87)44-19-12-24-76(44)54(88)38(68-33(3)78)17-10-22-65-56(61)62)49(83)74-42(30-77)51(85)73-41(27-35-28-63-31-67-35)50(84)69-36(15-7-8-20-57)47(81)66-29-45(79)75-23-11-18-43(75)52(86)71-39(46(58)80)26-34-13-5-4-6-14-34/h4-6,13-14,28,31-32,36-44,77H,7-12,15-27,29-30,57H2,1-3H3,(H2,58,80)(H,63,67)(H,66,81)(H,68,78)(H,69,84)(H,70,87)(H,71,86)(H,72,82)(H,73,85)(H,74,83)(H4,59,60,64)(H4,61,62,65)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 4.70n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor (unknown origin) expressed in CHO cells co-expressing with Calphaq16 assessed as calcium mobilization


Bioorg Med Chem 22: 2992-7 (2014)

More data for this
Ligand-Target Pair
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