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Compile Data Set for Download or QSAR

Found 709 hits Enz. Inhib. hit(s) with Target = 'apelin receptor'   
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)
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/a 0.0200n/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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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Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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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Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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/a 0.860n/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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/a 1.20n/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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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Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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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Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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/a 1.60n/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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/a 1.70n/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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/a 2.60n/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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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n/an/a 2.80n/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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/a 6.10n/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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/a 6.70n/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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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n/an/a 7.90n/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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/a 11n/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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/a 14n/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078004
PNG
(CHEMBL3417387)
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](CC1c2ccccc2Cc2ccccc12)C(O)=O
Show InChI InChI=1/C78H116N22O16/c1-4-5-21-54(74(113)100-35-16-27-62(100)73(112)96-58(76(115)116)39-50-48-19-8-6-17-45(48)37-46-18-7-9-20-49(46)50)93-71(110)60-25-14-33-98(60)64(103)41-87-65(104)51(22-10-11-30-79)90-69(108)57(38-47-40-84-43-88-47)95-70(109)59(42-101)97-68(107)56(36-44(2)3)94-66(105)52(23-12-31-85-77(80)81)91-72(111)61-26-15-34-99(61)75(114)55(24-13-32-86-78(82)83)92-67(106)53-28-29-63(102)89-53/h6-9,17-20,40,43-44,50-62,101H,4-5,10-16,21-39,41-42,79H2,1-3H3,(H,84,88)(H,87,104)(H,89,102)(H,90,108)(H,91,111)(H,92,106)(H,93,110)(H,94,105)(H,95,109)(H,96,112)(H,97,107)(H,115,116)(H4,80,81,85)(H4,82,83,86)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/s2
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n/an/a 14n/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
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/a 18n/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078014
PNG
(CHEMBL3417391)
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](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O
Show InChI InChI=1/C61H92N16O13/c1-4-5-17-44(59(87)77-28-13-20-50(77)58(86)74-47(60(88)89)30-38-21-23-41(24-22-38)90-35-39-14-7-6-8-15-39)71-57(85)49-19-12-27-76(49)51(79)33-68-53(81)43(18-9-10-25-62)70-55(83)46(31-40-32-66-36-69-40)73-56(84)48(34-78)75-54(82)45(29-37(2)3)72-52(80)42(63)16-11-26-67-61(64)65/h6-8,14-15,21-24,32,36-37,42-50,78H,4-5,9-13,16-20,25-31,33-35,62-63H2,1-3H3,(H,66,69)(H,68,81)(H,70,83)(H,71,85)(H,72,80)(H,73,84)(H,74,86)(H,75,82)(H,88,89)(H4,64,65,67)/t42-,43-,44-,45-,46-,47-,48-,49-,50-/s2
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n/an/a 57n/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM54799
PNG
(2-(2,3,4,5,6-pentafluorophenyl)-1-benzopyran-4-one...)
Show SMILES Fc1c(F)c(F)c(c(F)c1F)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H5F5O2/c16-11-10(12(17)14(19)15(20)13(11)18)9-5-7(21)6-3-1-2-4-8(6)22-9/h1-5H
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n/an/a 694n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50393964
PNG
(CHEMBL2158347)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
Show InChI InChI=1S/C17H11N3O6S/c21-14-8-13(10-27-17-18-6-1-7-19-17)25-9-15(14)26-16(22)11-2-4-12(5-3-11)20(23)24/h1-9H,10H2
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n/an/a 700n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at APJ receptor assessed as inhibition of apelin13-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM19164
PNG
(3-phenyl-5H-indeno[1,2-c]pyridazin-5-one | Aza-het...)
Show SMILES O=C1c2ccccc2-c2nnc(cc12)-c1ccccc1
Show InChI InChI=1S/C17H10N2O/c20-17-13-9-5-4-8-12(13)16-14(17)10-15(18-19-16)11-6-2-1-3-7-11/h1-10H
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n/an/a 1.05E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM66074
PNG
(4-methylbenzenecarbothioic acid S-(7-oxo-1-cyclohe...)
Show SMILES Cc1ccc(cc1)C(=O)Sc1cccccc1=O
Show InChI InChI=1S/C15H12O2S/c1-11-7-9-12(10-8-11)15(17)18-14-6-4-2-3-5-13(14)16/h2-10H,1H3
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n/an/a 1.08E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM52656
PNG
(1-[5-acetyl-3-methyl-6-(3-nitrophenyl)-5H-[1,2,4]t...)
Show SMILES CC(=O)[C-]1Sc2nn[c-](C)[n+]2[N+](C(C)=O)=C1c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H13N5O4S/c1-8(21)14-13(11-5-4-6-12(7-11)20(23)24)19(10(3)22)18-9(2)16-17-15(18)25-14/h4-7H,1-3H3
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n/an/a 1.27E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM58188
PNG
(1-benzyl-3-(tert-butyl)-N'-(4-methylphenyl)-1H...)
Show SMILES Cc1ccc(NNC(=O)c2cc(nn2Cc2ccccc2)C(C)(C)C)cc1
Show InChI InChI=1S/C22H26N4O/c1-16-10-12-18(13-11-16)23-24-21(27)19-14-20(22(2,3)4)25-26(19)15-17-8-6-5-7-9-17/h5-14,23H,15H2,1-4H3,(H,24,27)
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n/an/a 1.49E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM67327
PNG
(1-(4-Chloro-phenyl)-2-(2,5-dimethyl-phenylamino)-e...)
Show SMILES Cc1ccc(C)c(NCC(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C16H16ClNO/c1-11-3-4-12(2)15(9-11)18-10-16(19)13-5-7-14(17)8-6-13/h3-9,18H,10H2,1-2H3
PDB

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n/an/a 1.59E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50393964
PNG
(CHEMBL2158347)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
Show InChI InChI=1S/C17H11N3O6S/c21-14-8-13(10-27-17-18-6-1-7-19-17)25-9-15(14)26-16(22)11-2-4-12(5-3-11)20(23)24/h1-9H,10H2
PDB

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n/an/a 1.75E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by lu...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM32307
PNG
(4-chloro-3-nitro-benzoic acid [4-keto-6-[[(4-methy...)
Show SMILES Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
Show InChI InChI=1S/C18H12ClN3O6S/c1-10-4-5-20-18(21-10)29-9-12-7-15(23)16(8-27-12)28-17(24)11-2-3-13(19)14(6-11)22(25)26/h2-8H,9H2,1H3
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n/an/a 1.75E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by lu...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM21629
PNG
(3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one...)
Show SMILES Cc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Show InChI InChI=1S/C18H12N2O/c1-11-6-8-12(9-7-11)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3
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n/an/a 1.82E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM40197
PNG
((2Z)-2-[(8-quinolinylamino)methylidene]-1-benzothi...)
Show SMILES Oc1c(C=Nc2cccc3cccnc23)sc2ccccc12
Show InChI InChI=1S/C18H12N2OS/c21-18-13-7-1-2-9-15(13)22-16(18)11-20-14-8-3-5-12-6-4-10-19-17(12)14/h1-11,21H
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n/an/a 1.88E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM66072
PNG
(4-tert-butyl-N'-(1-pyridin-2-ylethylidene)benz...)
Show SMILES CC(=NNC(=O)c1ccc(cc1)C(C)(C)C)c1ccccn1
Show InChI InChI=1S/C18H21N3O/c1-13(16-7-5-6-12-19-16)20-21-17(22)14-8-10-15(11-9-14)18(2,3)4/h5-12H,1-4H3,(H,21,22)
PDB

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n/an/a 1.90E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM67195
PNG
(2-(3-Chloro-4-methyl-phenylamino)-1-phenyl-ethanon...)
Show SMILES Cc1ccc(NCC(=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C15H14ClNO/c1-11-7-8-13(9-14(11)16)17-10-15(18)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
PDB

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n/an/a 2.01E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM67344
PNG
(1-(4-chlorophenyl)-2-(2-methoxyanilino)ethanone | ...)
Show SMILES COc1ccccc1NCC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClNO2/c1-19-15-5-3-2-4-13(15)17-10-14(18)11-6-8-12(16)9-7-11/h2-9,17H,10H2,1H3
PDB

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n/an/a 2.05E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM67266
PNG
(4-chloranyl-1-ethyl-3-nitro-quinolin-2-one | 4-chl...)
Show SMILES CCn1c2ccccc2c(Cl)c([N+]([O-])=O)c1=O
Show InChI InChI=1S/C11H9ClN2O3/c1-2-13-8-6-4-3-5-7(8)9(12)10(11(13)15)14(16)17/h3-6H,2H2,1H3
PDB

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n/an/a 2.06E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM67314
PNG
(1-(4-bromophenyl)-2-(3-chloroanilino)ethanone | 1-...)
Show SMILES Clc1cccc(NCC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C14H11BrClNO/c15-11-6-4-10(5-7-11)14(18)9-17-13-3-1-2-12(16)8-13/h1-8,17H,9H2
PDB

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n/an/a 2.12E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM67388
PNG
(2-bromanyl-N'-(4,6-dimethylpyrimidin-2-yl)-4,6-bis...)
Show SMILES Cc1cc(C)nc(NNS(=O)(=O)c2c(F)cc(F)cc2Br)n1
Show InChI InChI=1S/C12H11BrF2N4O2S/c1-6-3-7(2)17-12(16-6)18-19-22(20,21)11-9(13)4-8(14)5-10(11)15/h3-5,19H,1-2H3,(H,16,17,18)
PDB

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n/an/a 2.14E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM60275
PNG
(4-Chloro-benzoic acid (1-pyridin-2-yl-ethylidene)-...)
Show SMILES CC(=NNC(=O)c1ccc(Cl)cc1)c1ccccn1
Show InChI InChI=1S/C14H12ClN3O/c1-10(13-4-2-3-9-16-13)17-18-14(19)11-5-7-12(15)8-6-11/h2-9H,1H3,(H,18,19)
PDB

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n/an/a 2.15E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM67349
PNG
((3E)-5-bromo-3-[(4-methylphenyl)imino]-1,3-dihydro...)
Show SMILES Cc1ccc(NC2=c3cc(Br)ccc3=NC2=O)cc1
Show InChI InChI=1S/C15H11BrN2O/c1-9-2-5-11(6-3-9)17-14-12-8-10(16)4-7-13(12)18-15(14)19/h2-8H,1H3,(H,17,18,19)
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n/an/a 2.26E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM67337
PNG
(4-fluoranyl-N-(1-pyridin-2-ylethylideneamino)benza...)
Show SMILES CC(=NNC(=O)c1ccc(F)cc1)c1ccccn1
Show InChI InChI=1S/C14H12FN3O/c1-10(13-4-2-3-9-16-13)17-18-14(19)11-5-7-12(15)8-6-11/h2-9H,1H3,(H,18,19)
PDB

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n/an/a 2.28E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM54814
PNG
(4-[(7-chloranyl-4-nitro-2,1,3-benzoxadiazol-5-yl)a...)
Show SMILES Cc1c(Nc2cc(Cl)c3nonc3c2[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C17H13ClN6O4/c1-9-13(17(25)23(22(9)2)10-6-4-3-5-7-10)19-12-8-11(18)14-15(21-28-20-14)16(12)24(26)27/h3-8,19H,1-2H3
PDB

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n/an/a 2.46E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM54371
PNG
(2-Hydroxy-benzoic acid [1-quinolin-8-yl-meth-(E)-y...)
Show SMILES Oc1ccccc1C(=O)NN=Cc1cccc2cccnc12
Show InChI InChI=1S/C17H13N3O2/c21-15-9-2-1-8-14(15)17(22)20-19-11-13-6-3-5-12-7-4-10-18-16(12)13/h1-11,21H,(H,20,22)
PDB

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n/an/a 2.53E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM54838
PNG
(5-chloranyl-2-ethylsulfonyl-N-[4-[methyl(phenyl)su...)
Show SMILES CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1
Show InChI InChI=1S/C20H19ClN4O5S2/c1-3-31(27,28)20-22-13-17(21)18(24-20)19(26)23-14-9-11-16(12-10-14)32(29,30)25(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,23,26)
PDB

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n/an/a 2.63E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50058655
PNG
(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
PDB

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n/an/a 2.63E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM67364
PNG
(2-[[2-(2-furoylamino)acetyl]amino]acetic acid [2-(...)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)C(=O)COC(=O)CNC(=O)CNC(=O)c1ccco1
Show InChI InChI=1S/C17H14ClN3O8/c18-11-4-3-10(6-12(11)21(26)27)13(22)9-29-16(24)8-19-15(23)7-20-17(25)14-2-1-5-28-14/h1-6H,7-9H2,(H,19,23)(H,20,25)
PDB

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n/an/a 2.65E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM67256
PNG
(2-(4-fluoroanilino)-1-phenyl-ethanone;hydrobromide...)
Show SMILES Fc1ccc(NCC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H12FNO/c15-12-6-8-13(9-7-12)16-10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2
PDB

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n/an/a 2.75E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM54825
PNG
(MLS000776291 | N-(4-chloranyl-3-ethyl-5-methanoyl-...)
Show SMILES CCn1c(Cl)c(C=O)sc1=NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C12H11ClN2O3S2/c1-2-15-11(13)10(8-16)19-12(15)14-20(17,18)9-6-4-3-5-7-9/h3-8H,2H2,1H3
PDB

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n/an/a 2.81E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM54827
PNG
(Bis(helenalinyl) malonate | MLS000728515 | SMR0004...)
Show SMILES C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)CC(=O)O[C@H]2[C@H]3[C@@H](C[C@@H](C)[C@@H]4C=CC(=O)[C@@]24C)OC(=O)C3=C)[C@@]2(C)[C@H]1C=CC2=O
Show InChI InChI=1S/C33H36O10/c1-14-11-20-26(16(3)30(38)40-20)28(32(5)18(14)7-9-22(32)34)42-24(36)13-25(37)43-29-27-17(4)31(39)41-21(27)12-15(2)19-8-10-23(35)33(19,29)6/h7-10,14-15,18-21,26-29H,3-4,11-13H2,1-2,5-6H3/t14-,15-,18+,19+,20-,21-,26-,27-,28+,29+,32+,33+/m1/s1
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n/an/a 2.85E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM52665
PNG
(1-(5-acetyl-3-methyl-6-phenyl-5H-[1,2,4]triazolo[3...)
Show SMILES CC(=O)N1C(=C(Sc2nnc(C)n12)C(C)=O)c1ccccc1
Show InChI InChI=1S/C15H14N4O2S/c1-9(20)14-13(12-7-5-4-6-8-12)19(11(3)21)18-10(2)16-17-15(18)22-14/h4-8H,1-3H3
PDB

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n/an/a 2.94E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
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